SCHEMBL563246

SCHEMBL563246

O=[N+]([O-])c1ccc(NCCOCCO)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 7/20 0.54
PKM P14618 2/20 0.53
POLB P06746 2/20 0.52
HCAR3 P49019 1/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
PTGER4 P35408 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL29868082 1.00 KMT2A (0.71) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13056646 0.91 KMT2A (0.61) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL21531127 0.90 KMT2A (0.60) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13248198 0.86 KMT2A (0.56) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL13248200 0.86 MAPT (0.58) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30670380 0.86 MAPT (0.58) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL563763 0.86 PKM (0.67) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL23705193 0.85 KMT2A (0.55) KMT2AMAPTSMN1; SMN2TSHRTDP1
SCHEMBL21973136 0.85 MAPT (0.57) KMT2AMAPTSMN1; SMN2TDP1KDM4E
SCHEMBL21113593 0.85 KMT2A (0.55) KMT2AMAPTSMN1; SMN2TSHRTDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2024-09-10 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-27 US disclosed
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2021-05-25 US disclosed
US-20200354476-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2020-11-12 US disclosed
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2019-05-02 US disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-9296708-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2016-03-29 US disclosed
US-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2012-02-09 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 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 (10 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN KMT2A 3827/4885MAPT 3454/4885SMN1; SMN2 4773/4885
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-20220023428-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-20200354476-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-11014992-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-12084517-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 KMT2A 606/4885MAPT 199/4885SMN1; SMN2 4155/4885

“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.