SCHEMBL705661

SCHEMBL705661

COc1ccc(-c2nnn[nH]2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL187940 0.85 ALDH1A1 (0.54) MAPTTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL6608296 0.83 GRK6 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10765716 0.81 KDM4E (0.40) MAPTTP53THRBALDH1A1KDM4E
SCHEMBL3044550 0.81 HSD17B10 (0.47) MAPTTHRBALDH1A1KDM4EHSD17B10
SCHEMBL7462417 0.80 CFD (0.44) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6789801 0.79 DHFR (0.44) ALDH1A1KDM4EHSD17B10GAAAPOBEC3G
SCHEMBL6621917 0.79 NPC1 (0.35) SMN1; SMN2NPC1RAB9A
SCHEMBL1250505 0.78 NOX1 (0.49) MAPTALOX12NFKB1NFKB2RELA
SCHEMBL9023892 0.78 PIK3CA (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8326642 0.78 LMNA (0.47) ALDH1A1KDM4EHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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 (4 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 4214/4885TP53 795/4885THRB 4579/4885
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 MAPT 4684/4885TP53 780/4885THRB 4379/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 MAPT 4748/4885TP53 893/4885THRB 4428/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MAPT 4280/4885TP53 846/4885THRB 4538/4885

“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.