SCHEMBL10140900

SCHEMBL10140900

COc1ccc(COc2c(-c3ccc(C)cc3)nn(CC(F)(F)F)c2C(C)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BTK Q06187 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
THRB P10828 1/20 0.36
PPARD Q03181 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7966258 0.92 NPC1 (0.40) KDM4EALDH1A1HPGDBTKMAPT
SCHEMBL16258985 0.91 BTK (0.40) KDM4EALDH1A1HPGDBTKMEN1
SCHEMBL10140272 0.79 MEN1 (0.48) MEN1KMT2AMAPTPTGDR2SMN1; SMN2
SCHEMBL10140899 0.72 MAOB (0.46) MAOBKDM4EALDH1A1HPGDMEN1
SCHEMBL10140278 0.71 SMN1; SMN2 (0.48) MEN1KMT2APTGDR2NPC1POLB
SCHEMBL20307795 0.68 NPC1 (0.46) MAOBKDM4EALDH1A1HPGDMEN1
SCHEMBL10172563 0.67 PTGDR2 (0.43) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL16258984 0.67 LMNA (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10140911 0.66 MAPT (0.41) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL10140271 0.64 CNR1 (0.47) ALDH1A1MEN1KMT2AMAPTPTGDR2

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 MAOB 297/4885KDM4E 1387/4885ALDH1A1 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.