SCHEMBL3361094

SCHEMBL3361094

Cc1nc(N=Nc2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O.[Na].[Na]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.98
P2RY13 Q9BPV8 4/20 0.98
MEN1 O00255 4/20 0.86
KMT2A Q03164 4/20 0.86
THRB P10828 3/20 0.86
RECQL P46063 3/20 0.86
PLA2G2A P14555 1/20 0.73
MAPT P10636 6/20 0.63
TDP1 Q9NUW8 6/20 0.63
KDM4E B2RXH2 4/20 0.63
P2RX7 Q99572 3/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 3/20 0.63
P2RX3 P56373 2/20 0.63
P2RX2 Q9UBL9 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP2C19 P33261 2/20 0.63
CASP1 P29466 1/20 0.63
RAB9A P51151 1/20 0.63
CASP7 P55210 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL31722292 0.99 P2RY1 (0.97) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL3361087 0.99 P2RY1 (1.00) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL13961829 0.99 P2RY1 (1.00) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL3361090 0.92 KMT2A (1.00) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL29605705 0.87 P2RY1 (0.78) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL13962116 0.84 P2RY1 (1.00) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL13961317 0.84 P2RY1 (0.73) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL13961828 0.83 P2RY1 (0.74) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL7093360 0.83 P2RX7 (0.75) P2RY1P2RY13MEN1KMT2ATHRB
SCHEMBL13962115 0.83 P2RY1 (0.71) P2RY1P2RY13MEN1KMT2ATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-13 US claimed
US-8399018-B2 Controlled release ion channel modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-03-19 US claimed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 US disclosed
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY INC (US) 2022-02-10 US disclosed
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2022-02-10 US disclosed
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-05-13 US disclosed
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2020-12-24 US disclosed
US-20180000950-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2018-01-04 US disclosed
US-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-08-25 US disclosed
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-08-11 US disclosed
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-04-07 US disclosed
US-9132087-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2015-09-15 US disclosed
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-13 US disclosed
US-8399018-B2 Controlled release ion channel modulator compositions and methods for the treatment of otic disorders OTONOMY, INC. (US) 2013-03-19 US disclosed
US-20100015228-A1 CONTROLLED RELEASE ION CHANNEL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS OTONOMY, INC. (US) 2010-01-21 US disclosed
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180000950-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB P2RY1 1896/4885P2RY13 1511/4885MEN1 958/4885
US-20130150410-A1 Controlled Release Ion Channel Modulator Compositions and Methods for the Treatment of Otic Disorders TRPV1, ATP2A1, TRPM2 P2RY1 172/4885P2RY13 317/4885MEN1 1233/4885
US-20100015228-A1 CONTROLLED RELEASE ION CHANNEL MODULATOR COMPOSITIONS AND METHODS FOR THE TREATMENT OF OTIC DISORDERS TRPV1, ATP2A1, TRPM2 P2RY1 172/4885P2RY13 317/4885MEN1 1233/4885
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB P2RY1 2165/4885P2RY13 1605/4885MEN1 1519/4885
US-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB P2RY1 2165/4885P2RY13 1605/4885MEN1 1519/4885
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB P2RY1 1896/4885P2RY13 1511/4885MEN1 958/4885
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 P2RY1 240/4885P2RY13 469/4885MEN1 629/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.