SCHEMBL10140698

SCHEMBL10140698

COc1c(-c2ccc(Br)cc2)nn(C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
MCL1 Q07820 1/20 0.39
AURKA O14965 1/20 0.38
HPGD P15428 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
LPAR1 Q92633 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMO O15229 1/20 0.36
DHODH Q02127 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 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
SCHEMBL10140694 0.89 MAPT (0.38) PTGDR2AURKAHPGDCA1CA2
SCHEMBL7972107 0.87 RAB9A (0.45) PTGDR2AURKAHPGDCA1CA2
SCHEMBL10140710 0.87 TP53 (0.46) HPGDMEN1KMT2ALMNATP53
SCHEMBL10140871 0.87 MAPT (0.39) AURKAHPGDRAB9AMEN1KMT2A
SCHEMBL10140393 0.87 TP53 (0.48) HPGDMEN1KMT2ALMNATP53
SCHEMBL10140727 0.79 MKNK1 (0.49) MEN1KMT2AALDH1A1L3MBTL1KMO
SCHEMBL10140760 0.79 KMO (0.41) HPGDMEN1KMT2AALDH1A1KMO
SCHEMBL10140385 0.77 CSF1R (0.49) HPGDMEN1KMT2ALMNATP53
SCHEMBL10172739 0.73 BRD4 (0.48) HPGDCA1CA2LMNAALDH1A1
SCHEMBL10140868 0.73 TUBB4A (0.39) MCL1HPGDLMNATP53TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 PTGDR2 3200/4885MCL1 2681/4885AURKA 3323/4885

“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.