SCHEMBL4813962

SCHEMBL4813962

CCn1cc(Cc2ccccc2-c2nc(C)ccc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
ABCC4 O15439 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
F10 P00742 3/20 0.34
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 2/20 0.33
BAD Q92934 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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 0.85 SLC22A12 (0.41) KMT2AMEN1SLC22A12F10F2
SCHEMBL4815014 0.85 SLC22A12 (0.40) KMT2AMEN1SLC22A12F10F2
SCHEMBL4863979 0.84 SLC22A12 (0.36) SLC22A12F10F2PRSS1MCL1
SCHEMBL4814925 0.81 PLA2G4A (0.40) KMT2AMEN1LMNASLC22A12F10
SCHEMBL4814585 0.81 SLC22A12 (0.48) SLC22A12F10F2PRSS1PLG
SCHEMBL4815488 0.80 SLC22A12 (0.42) SLC22A12F10F2PRSS1PLG
SCHEMBL4813787 0.79 KDM4E (0.46) SLC22A12TSHRMAPTALDH1A1
SCHEMBL4808748 0.79 ALDH1A1 (0.43) LMNASLC22A12F10F2PRSS1
SCHEMBL4809607 0.79 SLC22A12 (0.37) SLC22A12F10F2PRSS1PLG
SCHEMBL4812974 0.79 TDP1 (0.40) KMT2AMEN1LMNASLC22A12F10

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 KMT2A 576/4885MEN1 1649/4885LMNA 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.