SCHEMBL8002969

SCHEMBL8002969

Brc1cccc(-c2nn[nH]c2-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
DCUN1D1 Q96GG9 2/20 0.43
DCLK1 O15075 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL28265738 0.89 IDO1 (0.48) IDO1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL706436 0.84 MAPT (0.46) IDO1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL28327748 0.84 IDO1 (0.43) IDO1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL28270530 0.83 MAPK13 (0.54) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL453506 0.82 KDM4E (0.48) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28326465 0.80 MAPK13 (0.50) IDO1SMN1; SMN2TP53MAPTTDO2
SCHEMBL28270660 0.80 IDO1 (0.58) IDO1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL23294716 0.76 NPC1 (0.46) IDO1NPC1RAB9ATSHRSMN1; SMN2
Phenol SCHEMBL28258861 0.74 RPS6KA3 (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL17283565 0.72 MAPK14 (0.45) IDO1NPC1RAB9ATSHRSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
WO-2009079353-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS TMPRSS4, SPINT2, PRSS1 IDO1 986/4885NPC1 246/4885RAB9A 3217/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV IDO1 1617/4885NPC1 27/4885RAB9A 1977/4885

“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.