SCHEMBL1791103

SCHEMBL1791103

O=C(NCc1cc(-c2cccs2)on1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
PLEC Q15149 1/20 0.42
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1791729 0.85 HPGD (0.52) LMNAHPGDTSHRRAB9ANPC1
SCHEMBL1789608 0.83 NAMPT (0.49) LMNARAB9ANPC1KMT2AALDH1A1
SCHEMBL1791099 0.82 HPGD (0.46) LMNAHPGDTSHRRAB9ANPC1
SCHEMBL1789788 0.81 ABCB1 (0.39) HPGDTSHRNPC1MEN1KMT2A
SCHEMBL1790534 0.79 ROCK2 (0.46) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1790046 0.78 KDM4E (0.52) LMNARAB9ANPC1MEN1KMT2A
SCHEMBL1791894 0.77 ALDH1A1 (0.48) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1788808 0.77 RAB9A (0.48) LMNAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1787686 0.76 NAMPT (0.49) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1790598 0.75 NAMPT (0.48) RAB9ANPC1KMT2ASMN1; SMN2KDM4E

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 2172/4885HPGD 1107/4885TSHR 617/4885

“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.