SCHEMBL4813769

SCHEMBL4813769

N=C(N)c1ccc2c(Cc3cccc(-c4ccc(C(N)=O)cc4C(=O)O)c3)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
F10 P00742 9/20 0.43
SLC22A12 Q96S37 1/20 0.41
F11 P03951 4/20 0.41
F7 P08709 4/20 0.41
SERPINE1 P05121 1/20 0.40
ICMT O60725 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA1D P25100 1/20 0.39
BRD4 O60885 1/20 0.39
MCL1 Q07820 1/20 0.38
BAD Q92934 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
SCHEMBL4815653 0.91 SLC22A12 (0.41) F10SLC22A12F11F7
SCHEMBL4807618 0.81 ALDH1A1 (0.41) F10SLC22A12F11F7LMNA
SCHEMBL4816668 0.80 ADRA1D (0.39) HDAC1HDAC8HDAC6SERPINE1ICMT
SCHEMBL4809426 0.77 PLA2G2A (0.52) HDAC1HDAC6F10F7ICMT
SCHEMBL5899841 0.74 HDAC1 (0.43) HDAC1HDAC8HDAC6F10F7
SCHEMBL12850648 0.72 HDAC6 (0.74) HDAC1HDAC8HDAC6LMNAALDH1A1
SCHEMBL4656156 0.72 PLA2G2A (0.51) F10F7ICMTLMNAALDH1A1
SCHEMBL4814925 0.71 PLA2G4A (0.40) F10SLC22A12F11F7LMNA
SCHEMBL5150813 0.71 SLC22A12 (0.39) F10SLC22A12F7
SCHEMBL4812278 0.71 PLA2G2A (0.44) HDAC1HDAC6F10F7ICMT

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 4 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
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 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-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 HDAC1 1133/4885HDAC8 868/4885HDAC6 3538/4885

“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.