SCHEMBL7106932

SCHEMBL7106932

CCOC(=O)c1cn(Cc2ccc3ccccc3c2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ELANE P08246 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASR P41180 1/20 0.38
IDH1 O75874 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL7105719 0.92 POLB (0.47) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL7108857 0.90 POLB (0.46) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL6163207 0.90 TSHR (0.46) POLBRXFP1ELANEPTGS1PTGS2
SCHEMBL6170882 0.89 MAPT (0.45) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL6163869 0.89 POLB (0.45) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL7106877 0.88 PDE3B (0.42) POLBRXFP1ELANEPTGS1PTGS2
SCHEMBL7105819 0.87 KDM4E (0.47) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL7100385 0.86 POLB (0.43) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL6161408 0.85 CHRM2 (0.42) POLBRXFP1ELANEKLKB1KLK1
SCHEMBL7108911 0.85 POLB (0.42) POLBRXFP1ELANEKLKB1KLK1

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 POLB 3482/4885RXFP1 1251/4885ELANE 130/4885

“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.