SCHEMBL1787984

SCHEMBL1787984

O=C(Nc1ccccc1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TMPRSS2 O15393 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 2/20 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
SCHEMBL1791301 0.86 HDAC6 (0.42) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL1790900 0.83 HDAC6 (0.47) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1787356 0.83 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2AHDAC6
SCHEMBL1788808 0.82 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL1788749 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHDAC6
SCHEMBL1787706 0.79 HDAC6 (0.43) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL1787756 0.79 SMYD3 (0.48) SMN1; SMN2KDM4ETP53GAAHTT
SCHEMBL3366233 0.79 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL1792228 0.78 ALDH1A1 (0.42) ALDH1A1HDAC6
SCHEMBL1791095 0.78 ALDH1A1 (0.42) KDM4EGAAALDH1A1MEN1KMT2A

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 NPC1 1764/4885RAB9A 2688/4885SMN1; SMN2 4393/4885

“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.