SCHEMBL6166162

SCHEMBL6166162

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.43
FAAH O00519 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
NTRK1 P04629 1/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 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
SCHEMBL6163960 0.91 KLKB1 (0.48) SMN1; SMN2CHRM3ALDH1A1KDM4EKLKB1
SCHEMBL7106871 0.91 BRD4 (0.44) GAACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL7108857 0.89 POLB (0.46) SMN1; SMN2FAAHALDH1A1KDM4EPOLB
SCHEMBL7100385 0.89 POLB (0.43) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL7104679 0.88 CHRM2 (0.43) SMN1; SMN2MAPTFAAHCHRM2CHRM1
SCHEMBL6161408 0.88 CHRM2 (0.42) SMN1; SMN2GAAMAPTCHRM2CHRM1
SCHEMBL7103300 0.88 CHRM2 (0.42) MAPTFAAHCHRM2CHRM1CHRM3
SCHEMBL6238920 0.87 MAPK14 (0.47) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL6163869 0.87 POLB (0.45) SMN1; SMN2MAPTCHRM2CHRM1CHRM3
SCHEMBL7108911 0.86 POLB (0.42) CHRM2CHRM1CHRM3ALDH1A1KDM4E

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 RAB9A 2909/4885SMN1; 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.