SCHEMBL1788934

SCHEMBL1788934

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
CHRM3 P20309 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NAMPT P43490 2/20 0.44
TP53 P04637 1/20 0.43
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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) HPGDTSHRNPC1RAB9ATP53
SCHEMBL1789792 0.89 LMNA (0.50) ALDH1A1SMN1; SMN2TP53MAPK14LMNA
SCHEMBL1792318 0.87 TP53 (0.44) TP53MAPK14LMNAIDO1
SCHEMBL1789763 0.84 TP53 (0.41) TP53MAPK14LMNA
SCHEMBL1790517 0.82 LMNA (0.51) KMT2AMEN1SMN1; SMN2TP53MAPK14
SCHEMBL1788808 0.82 RAB9A (0.48) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1790168 0.82 IDO1 (0.48) KMT2AMEN1CHRM3SMN1; SMN2NPC1
SCHEMBL1790623 0.81 MLYCD (0.54) HPGDKMT2AMEN1CHRM3RAB9A
SCHEMBL1789578 0.81 NR1H4 (0.48) KMT2AALDH1A1MAPK14MAPT
SCHEMBL1787760 0.80 MAPT (0.50) KMT2AMEN1SMN1; SMN2HTTRAB9A

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 HPGD 1107/4885TSHR 617/4885KMT2A 731/4885

“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.