SCHEMBL6673467

SCHEMBL6673467

Cc1cc(-c2ccccc2)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
ALOX5 P09917 1/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
PTGS2 P35354 1/20 0.59
CYP1A1 P04798 2/20 0.54
CYP1B1 Q16678 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
FCGR1A P12314 1/20 0.46
PDPK1 O15530 1/20 0.46
RPA1 P27694 1/20 0.46

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
SCHEMBL16808852 0.88 NPC1 (0.54) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL10645870 0.84 NPC1 (1.00) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL10194259 0.83 NPC1 (0.83) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL12361461 0.81 NPC1 (0.93) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL15346668 0.80 ALDH1A1 (0.71) NPC1RAB9AALDH1A1HPGDPTGS2
SCHEMBL11382119 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL12759783 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL5698704 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL29171041 0.80 NPC1 (0.51) NPC1RAB9AALOX5ALDH1A1HPGD
SCHEMBL30864220 0.80 NPC1 (0.51) NPC1RAB9AALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 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 (3 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN NPC1 32/4885RAB9A 4424/4885ALOX5 2371/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 NPC1 63/4885RAB9A 4376/4885ALOX5 837/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 NPC1 120/4885RAB9A 3035/4885ALOX5 310/4885

“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.