SCHEMBL1789792

SCHEMBL1789792

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.50
TP53 P04637 4/20 0.50
THRB P10828 2/20 0.50
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1789875 0.91 TP53 (0.44) LMNATP53THRBMAPK14
SCHEMBL1792318 0.89 TP53 (0.44) LMNATP53THRBMAPK14
SCHEMBL1788934 0.89 HPGD (0.51) LMNATP53MAPK14MAPTALDH1A1
SCHEMBL1790517 0.87 LMNA (0.51) LMNATP53THRBMAPK14L3MBTL1
SCHEMBL1789725 0.85 EPHX2 (0.48) LMNATP53MAPK14MAPTALDH1A1
SCHEMBL1789763 0.85 TP53 (0.41) LMNATP53THRBMAPK14L3MBTL1
SCHEMBL1790575 0.84 LSS (0.50) MAPK14KDM1AHDAC6
SCHEMBL1789578 0.83 NR1H4 (0.48) MAPK14MAPTALDH1A1
SCHEMBL1787760 0.83 MAPT (0.50) LMNATP53THRBMAPTL3MBTL1
SCHEMBL1788808 0.82 RAB9A (0.48) LMNATP53MAPK14MAPTALDH1A1

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 LMNA 2172/4885TP53 4800/4885THRB 903/4885

“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.