SCHEMBL4812974

SCHEMBL4812974

CCOC(=O)c1ccccc1-c1ccccc1Cc1cn(CC)c2cc(C(=N)N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
F10 P00742 10/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4811451 0.89 SLC22A12 (0.41) TDP1F10F2PRSS1SLC22A12
SCHEMBL4814925 0.83 PLA2G4A (0.40) F10LMNAF2PRSS1SLC22A12
SCHEMBL4815014 0.83 SLC22A12 (0.40) TDP1F10F2PRSS1SLC22A12
SCHEMBL4814585 0.82 SLC22A12 (0.48) F10F2PRSS1SLC22A12
SCHEMBL4812180 0.82 CYP11B1 (0.41) TDP1LMNATSHRALDH1A1KDM4E
SCHEMBL4808748 0.82 ALDH1A1 (0.43) F10LMNATSHRF2PRSS1
SCHEMBL4815488 0.81 SLC22A12 (0.42) F10F2PRSS1SLC22A12
SCHEMBL4813787 0.79 KDM4E (0.46) TDP1TSHRSLC22A12ALDH1A1HSD17B10
SCHEMBL4813962 0.79 KMT2A (0.38) F10LMNATSHRF2PRSS1
SCHEMBL4809607 0.78 SLC22A12 (0.37) F10F2PRSS1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed

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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 TDP1 3640/4885F10 12/4885LMNA 510/4885

“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.