SCHEMBL1787589

SCHEMBL1787589

Cn1c(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RECQL P46063 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
SCHEMBL1787588 0.82 MAPT (0.47) MAPTGAAHDAC6MEN1KMT2A
SCHEMBL1789819 0.81 ROCK2 (0.49) MAPTHDAC6HTTPRMT5WDR77
SCHEMBL1787963 0.80 HSD17B13 (0.39) MAPTHDAC6KMT2AHTTLMNA
SCHEMBL1788808 0.79 RAB9A (0.48) MAPTHDAC6LMNAALDH1A1TP53
SCHEMBL1789087 0.79 TSHR (0.53) MAPTHDAC6KMT2ARAB9A
SCHEMBL1791547 0.77 HDAC6 (0.39) MAPTGAAHDAC6HDAC1NPC1
SCHEMBL1788606 0.77 NAMPT (0.48) MAPTHDAC6MEN1KMT2AALDH1A1
SCHEMBL1787944 0.77 MAPT (0.41) MAPTHDAC6KMT2AALDH1A1TP53
SCHEMBL1790046 0.77 KDM4E (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL1787706 0.77 HDAC6 (0.43) HDAC6KMT2AHTTPRMT5TP53

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 MAPT 3598/4885GAA 4339/4885HDAC6 683/4885

“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.