SCHEMBL6676853

SCHEMBL6676853

Cc1ccc(-c2ccc(C#N)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.45
CYP2A6 P11509 1/20 0.45
MAOB P27338 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
CASP1 P29466 1/20 0.42
NOTUM Q6P988 1/20 0.42
EP300 Q09472 1/20 0.42
KIF11 P52732 1/20 0.41
CYP11B2 P19099 3/20 0.41
MMP3 P08254 1/20 0.41
KDM1A O60341 1/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL17051575 0.83 NPC1 (0.44) ALDH1A1NOTUMKDM4EL3MBTL1
SCHEMBL6852799 0.78 NPC1 (0.33) GAAALDH1A1EP300KDM4EL3MBTL1
SCHEMBL14872146 0.78 KDM4E (0.56) GAAALDH1A1MAOBKDM4EHPGD
SCHEMBL12824474 0.78 LMNA (0.44) GAAALDH1A1MAOBGABRA1GABRG2
SCHEMBL10000239 0.77 NPC1 (0.53) ALDH1A1NOTUMKDM4EHPGDL3MBTL1
SCHEMBL1742485 0.77 CASP1 (0.49) GAAMAOBGABRA1GABRG2GABRB3
SCHEMBL20749339 0.77 MAPT (0.42) ALDH1A1KDM4EL3MBTL1
SCHEMBL17051572 0.75 NPC1 (0.52) ALDH1A1NOTUMKDM4EHPGDL3MBTL1
Ammonia Solution, Strong SCHEMBL28862433 0.75 NPC1 (0.52) ALDH1A1NOTUMKDM4EHPGDL3MBTL1
SCHEMBL10000247 0.75 NPC1 (0.52) ALDH1A1NOTUMKDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894148-B1 NOVEL SMECTIC PHASE A LIQUID CRYSTAL MATERIAL HALATION PHOTONICS CORP (CN) 2019-04-03 EP disclosed
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

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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN GAA 276/4885ALDH1A1 2713/4885CYP2A6 440/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 GAA 1651/4885ALDH1A1 756/4885CYP2A6 48/4885

“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.