SCHEMBL6238920

SCHEMBL6238920

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 1/20 0.44
SETD7 Q8WTS6 1/20 0.42
SLC2A1 P11166 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
GNRHR P30968 1/20 0.40

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
SCHEMBL7102321 0.89 POLB (0.43) CHRM2CHRM1CHRM3RXFP1POLB
SCHEMBL6163480 0.88 POLB (0.44) HTTRXFP1POLB
SCHEMBL7105111 0.88 F2RL3 (0.45) MAPTCHRM2CHRM1CHRM3RXFP1
SCHEMBL6166162 0.87 RAB9A (0.44) SMN1; SMN2NPC1GAARAB9AMAPT
SCHEMBL7100618 0.84 POLB (0.44) SMN1; SMN2GAARAB9AMAPTHTT
SCHEMBL7103244 0.84 CYP19A1 (0.44) SMN1; SMN2NPC1RAB9AMAPTRXFP1
SCHEMBL6162978 0.81 ELANE (0.48) MAPK14SMN1; SMN2NPC1GAARAB9A
SCHEMBL6163470 0.79 NPC1 (0.46) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7108632 0.79 RXFP1 (0.39) RXFP1POLB
SCHEMBL6166443 0.79 ELANE (0.44) SMN1; SMN2NPC1RAB9ARXFP1POLB

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 MAPK14 2433/4885SMN1; SMN2 3889/4885NPC1 2488/4885

“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.