SCHEMBL6163470

SCHEMBL6163470

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP19A1 P11511 3/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ELANE P08246 1/20 0.41
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
ADRA1D P25100 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GRM5 P41594 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL7103244 0.91 CYP19A1 (0.44) NPC1RAB9ACYP19A1POLBRXFP1
SCHEMBL7100618 0.89 POLB (0.44) RAB9APOLBRXFP1ELANEFNTA
SCHEMBL6163480 0.88 POLB (0.44) POLBRXFP1ELANEFNTAFNTB
SCHEMBL7105111 0.86 F2RL3 (0.45) CYP19A1POLBRXFP1ELANEFNTA
SCHEMBL7102321 0.85 POLB (0.43) POLBRXFP1ELANEFNTAFNTB
SCHEMBL6170073 0.84 FNTA (0.44) POLBRXFP1ELANEFNTAFNTB
SCHEMBL6166443 0.83 ELANE (0.44) NPC1RAB9ACYP19A1POLBRXFP1
SCHEMBL6162978 0.81 ELANE (0.48) NPC1RAB9ACYP19A1POLBRXFP1
SCHEMBL7105719 0.80 POLB (0.47) CYP19A1POLBRXFP1ELANEADRA1D
SCHEMBL6238920 0.79 MAPK14 (0.47) NPC1RAB9APOLBRXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI NPC1 2488/4885RAB9A 2909/4885CYP19A1 260/4885

“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.