SCHEMBL2267753

SCHEMBL2267753

O=[N+]([O-])n1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RORC P51449 3/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ RARG P13631 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36

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
SCHEMBL837902 0.76 MAPT (0.35) HSD17B10KMT2AKDM4ELMNAALDH1A1
SCHEMBL1253991 0.76 MAPT (0.38) KMT2ALMNAALDH1A1HPGDHTT
SCHEMBL8037251 0.76 S100A4 (0.38) KMT2AKDM4ELMNAALDH1A1HTT
SCHEMBL1965937 0.75 TSHR (0.42) KDM4ETSHRALDH1A1HPGDRORC
SCHEMBL2723844 0.73 ELANE (0.51) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL28176203 0.69 HSD17B10 (0.51) HSD17B10L3MBTL1KMT2AKDM4ETSHR
SCHEMBL3661464 0.69 HSD17B10 (0.51) HSD17B10KMT2AKDM4ETSHRLMNA
SCHEMBL822675 0.69 L3MBTL1 (0.56) HSD17B10L3MBTL1KMT2AKDM4ETSHR
SCHEMBL27973180 0.69 HSD17B10 (0.56) HSD17B10KMT2AKDM4ETSHRLMNA
SCHEMBL20379747 0.69 L3MBTL1 (0.71) L3MBTL1KMT2ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 — — EP disclosed
CN-101415686-B Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO 2013-03-13 — — CN disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 — — US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 — — US disclosed
CN-101415686-A Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-04-22 — — CN disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 — — EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 — — WO 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 (2 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 HSD17B10 3568/4885L3MBTL1 1913/4885KMT2A 1416/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 HSD17B10 3568/4885L3MBTL1 1913/4885KMT2A 1416/4885

“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.

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