SCHEMBL7966258

SCHEMBL7966258

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALKBH1 Q13686 1/20 0.39
BTK Q06187 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
PPARD Q03181 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PLA2G4B P0C869 1/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
CFTR P13569 1/20 0.36
AURKA O14965 1/20 0.36
MAPT P10636 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
SCHEMBL10140900 0.92 MAOB (0.40) NPC1POLBRAB9ASMN1; SMN2BTK
SCHEMBL16258985 0.91 BTK (0.40) SMN1; SMN2BTKFFAR4ALDH1A1KDM4E
SCHEMBL10140278 0.79 SMN1; SMN2 (0.48) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL10140272 0.72 MEN1 (0.48) SMN1; SMN2MAPT
SCHEMBL20307795 0.72 NPC1 (0.46) NPC1POLBRAB9ASMN1; SMN2ALKBH1
SCHEMBL10172561 0.68 MAPT (0.40) NPC1POLBRAB9ASMN1; SMN2ALKBH1
SCHEMBL10140899 0.68 MAOB (0.46) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10172563 0.67 PTGDR2 (0.43) SMN1; SMN2ALDH1A1KDM4EFFAR1TP53
SCHEMBL10173114 0.67 F10 (0.48) LMNAMAPT
SCHEMBL16258984 0.67 LMNA (0.43) NPC1POLBRAB9ASMN1; SMN2ALDH1A1

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
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 NPC1 1029/4885POLB 3428/4885RAB9A 400/4885

“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.