SCHEMBL1987609

SCHEMBL1987609

O=C(O)c1cc(-c2ccncc2)n(-c2ccccc2)n1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 5/20 0.82
L3MBTL1 Q9Y468 1/20 0.72
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
PPP1CA P62136 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
MDM2 Q00987 4/20 0.62
MCL1 Q07820 3/20 0.62
BCL2 P10415 2/20 0.62
MARS1 P56192 1/20 0.61
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.56

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
SCHEMBL695352 0.91 RPA1 (1.00) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL5478669 0.86 MEN1 (0.62) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL16876818 0.85 MEN1 (0.60) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL27714729 0.84 KMT2A (0.89) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL4500796 0.84 L3MBTL1 (1.00) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL16876788 0.83 RPA1 (0.58) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL16876850 0.83 MEN1 (0.58) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL16876800 0.82 MEN1 (0.60) RPA1L3MBTL1MEN1KMT2APPP1CA
SCHEMBL16876772 0.82 CA9 (0.67) RPA1MEN1KMT2AMDM2MCL1
SCHEMBL6679929 0.81 RPA1 (0.71) RPA1L3MBTL1MEN1KMT2APPP1CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061969-B TRPA1 regulator ALGOMEDIX, INC. (US) 2019-10-29 CN disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
CN-106061969-A TRPA1 modulators 阿尔戈么迪克斯有限公司 2016-10-26 CN disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 WO disclosed
WO-2015103060-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2015-07-09 WO disclosed
EP-1602656-B1 PYRAZOLE DERIVATIVES HAVING AFFINITY FOR CB1 AND/OR CB2 RECEPTORS NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-06-29 EP disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 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 (3 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 RPA1 4693/4885L3MBTL1 2330/4885MEN1 4676/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 RPA1 4693/4885L3MBTL1 2330/4885MEN1 4676/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 RPA1 4693/4885L3MBTL1 2330/4885MEN1 4676/4885

“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.