SCHEMBL10140911

SCHEMBL10140911

COC(=O)c1c(OCc2ccc(C)cc2)c(-c2ccc(Br)cc2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ANO1 Q5XXA6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.37
SMPD1 P17405 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL10172563 0.90 PTGDR2 (0.43) MAPTTP53MEN1KMT2AANO1
SCHEMBL7972107 0.81 RAB9A (0.45) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL10140921 0.81 LMNA (0.41) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7975685 0.77 MAPT (0.41) MAPTTP53THRATHRBMEN1
SCHEMBL16258985 0.74 BTK (0.40) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL10173113 0.72 F10 (0.47) MAPTLMNAHPGD
SCHEMBL16258908 0.72 SMN1; SMN2 (0.36) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL10140919 0.70 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL10140694 0.70 MAPT (0.38) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL10140698 0.70 PTGDR2 (0.39) TP53MEN1KMT2ASMN1; SMN2RAB9A

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-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

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 MAPT 4510/4885TP53 4367/4885THRA 2356/4885

“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.