SCHEMBL1789875

SCHEMBL1789875

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
THRB P10828 3/20 0.44
MAPK14 Q16539 1/20 0.43
LMNA P02545 9/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1789792 0.91 LMNA (0.50) TP53THRBMAPK14LMNA
SCHEMBL1788934 0.91 HPGD (0.51) TP53MAPK14LMNANPC1RAB9A
SCHEMBL1792318 0.87 TP53 (0.44) TP53THRBMAPK14LMNA
SCHEMBL1790517 0.85 LMNA (0.51) TP53THRBMAPK14LMNA
SCHEMBL1789763 0.85 TP53 (0.41) TP53THRBMAPK14LMNA
SCHEMBL1788052 0.82 TP53 (0.44) TP53THRBMAPK14LMNARAB9A
SCHEMBL1787346 0.82 MAPK14 (0.41) TP53THRBMAPK14LMNAHPGD
SCHEMBL1789578 0.81 NR1H4 (0.48) MAPK14
SCHEMBL1787198 0.81 PRKAB2 (0.41) TP53THRBMAPK14LMNA
SCHEMBL1788446 0.81 ACE2 (0.53) TP53THRBMAPK14LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 TP53 4800/4885THRB 903/4885MAPK14 2341/4885

“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.