SCHEMBL6170073

SCHEMBL6170073

CCOC(=O)c1cn(Cc2ccc3ccccc3c2)cc1-c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
POLB P06746 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GRM5 P41594 1/20 0.39
CNR2 P34972 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA2A P29274 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
SCHEMBL7100618 0.87 POLB (0.44) FNTAFNTBPOLBTLR8TLR7
SCHEMBL6889407 0.86 XDH (0.44) ALDH1A1HTT
SCHEMBL6163480 0.85 POLB (0.44) FNTAFNTBPOLBTLR8TLR7
SCHEMBL6165250 0.85 FNTA (0.51) FNTAFNTBTLR8TLR7ELANE
SCHEMBL7106932 0.84 POLB (0.44) POLBELANEKDM4EALDH1A1TDP1
SCHEMBL6163470 0.84 NPC1 (0.46) FNTAFNTBPOLBTLR8TLR7
SCHEMBL7105111 0.82 F2RL3 (0.45) FNTAFNTBPOLBTLR8TLR7
SCHEMBL7103244 0.81 CYP19A1 (0.44) FNTAFNTBPOLBTLR8TLR7
SCHEMBL7102321 0.80 POLB (0.43) FNTAFNTBPOLBELANEPTGS1
SCHEMBL6166443 0.78 ELANE (0.44) FNTAFNTBPOLBTLR8TLR7

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
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR FNTA 3791/4885FNTB 4268/4885POLB 3507/4885
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI FNTA 654/4885FNTB 1197/4885POLB 3482/4885

“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.