SCHEMBL7972107

SCHEMBL7972107

COC(=O)c1c(OC)c(-c2ccc(Br)cc2)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
AURKA O14965 1/20 0.38
PRKCZ Q05513 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ABCB1 P08183 1/20 0.35
GABRA2 P47869 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
SCHEMBL10140694 0.87 MAPT (0.38) RAB9ASMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL10140698 0.87 PTGDR2 (0.39) RAB9ASMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL10172563 0.83 PTGDR2 (0.43) SMN1; SMN2ALDH1A1TP53MAPTKMT2A
SCHEMBL10140911 0.81 MAPT (0.41) RAB9ASMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL7975505 0.78 CA12 (0.42) RAB9ASMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL19715541 0.77 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL16258908 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDTP53MAPT
SCHEMBL10140871 0.74 MAPT (0.39) RAB9ASMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL10140710 0.74 TP53 (0.46) SMN1; SMN2ALDH1A1HPGDTP53MAPT
SCHEMBL10140466 0.74 HPGD (0.41) RAB9ASMN1; SMN2ALDH1A1HPGDTP53

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 5 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO 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 RAB9A 400/4885SMN1; SMN2 3004/4885ALDH1A1 1022/4885

“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.