SCHEMBL2266020

SCHEMBL2266020

COC(=O)c1cccc(N)c1N=Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ CFTR P13569 1/20 0.58
▸ MAPT P10636 10/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42

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
SCHEMBL2266018 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRMAPTRAB9A
Dimethyl Phthalate SCHEMBL28528385 0.82 MAPT (0.70) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL28144115 0.77 ALDH1A1 (0.96) ALDH1A1HSD17B10CFTRMAPTRAB9A
SCHEMBL28098512 0.76 MAPT (0.62) ALDH1A1HSD17B10CFTRMAPTRAB9A
SCHEMBL29021505 0.76 MAPT (0.62) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL57713 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL901249 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL29444250 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL29564148 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRMAPTRAB9A
Methyl Anthranilate SCHEMBL2875311 0.74 ALDH1A1 (0.89) ALDH1A1HSD17B10CFTRMAPTRAB9A

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 ALDH1A1 325/4885HSD17B10 3568/4885CFTR 3620/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 ALDH1A1 325/4885HSD17B10 3568/4885CFTR 3620/4885

“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.

Send feedback