SCHEMBL7101820

SCHEMBL7101820

CCOC(=O)c1cn(Cc2cc(C#N)ccc2O)cc1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
ELANE P08246 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6166501 0.88 MAPT (0.47) MAPTTDP1TSHRSMN1; SMN2MAPK1
SCHEMBL7108855 0.88 PDE5A (0.43) PTGS1PTGS2MAPTTDP1TSHR
SCHEMBL6163869 0.86 POLB (0.45) PTGS1PTGS2MAPTTDP1TSHR
SCHEMBL6164731 0.84 TSHR (0.45) PTGS1PTGS2MAPTTDP1TSHR
SCHEMBL6163697 0.84 TSHR (0.45) PTGS1PTGS2MAPTTDP1TSHR
SCHEMBL6170882 0.84 MAPT (0.45) PTGS1PTGS2MAPTTDP1TSHR
SCHEMBL7108857 0.80 POLB (0.46) PTGS1PTGS2TSHRSMN1; SMN2ELANE
SCHEMBL7105719 0.80 POLB (0.47) PTGS1PTGS2TSHRSMN1; SMN2ELANE
SCHEMBL7106357 0.80 SMN1; SMN2 (0.41) MAPTTDP1TSHRSMN1; SMN2MAPK1
SCHEMBL6164249 0.80 POLB (0.40) PTGS1PTGS2MAPTTDP1TSHR

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 PTGS1 1222/4885PTGS2 1847/4885MAPT 4356/4885

“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.