SCHEMBL7103300

SCHEMBL7103300

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1Cc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.42
MAP2K1 Q02750 1/20 0.41
FAAH O00519 1/20 0.41
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SCD O00767 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KLKB1 P03952 1/20 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
SCHEMBL7104679 0.89 CHRM2 (0.43) CHRM2CHRM1CHRM3MAP2K1FAAH
SCHEMBL7108857 0.89 POLB (0.46) MAP2K1FAAHPOLBKDM4EALDH1A1
SCHEMBL6166162 0.88 RAB9A (0.44) CHRM2CHRM1CHRM3MAP2K1FAAH
SCHEMBL6163869 0.86 POLB (0.45) CHRM2CHRM1CHRM3POLBKDM4E
SCHEMBL6163207 0.85 TSHR (0.46) POLBKDM4EALDH1A1HSD17B10RXFP1
SCHEMBL7105719 0.85 POLB (0.47) POLBKMT2ARXFP1KLKB1KLK1
SCHEMBL7100385 0.84 POLB (0.43) CHRM2CHRM1CHRM3MAP2K1POLB
SCHEMBL6161408 0.84 CHRM2 (0.42) CHRM2CHRM1CHRM3MAP2K1POLB
SCHEMBL6163960 0.83 KLKB1 (0.48) CHRM3KDM4EALDH1A1HSD17B10RORC
SCHEMBL7106871 0.83 BRD4 (0.44) CHRM2CHRM1CHRM3MAP2K1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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 (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 CHRM2 3921/4885CHRM1 3272/4885CHRM3 3691/4885

“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.