SCHEMBL1787706

SCHEMBL1787706

CCNC(=O)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRK1 P41145 2/20 0.38
NAMPT P43490 1/20 0.38
PRMT5 O14744 1/20 0.37

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
SCHEMBL1790900 0.87 HDAC6 (0.47) HDAC6KMT2AHDAC8HRH3SMYD3
SCHEMBL1789725 0.84 EPHX2 (0.48) HDAC6TP53KMT2AHRH3SMN1; SMN2
SCHEMBL1788808 0.83 RAB9A (0.48) HDAC6TP53HDAC8SMN1; SMN2NPC1
SCHEMBL1787756 0.82 SMYD3 (0.48) HDAC6TP53KMT2AHDAC8KCNH2
SCHEMBL1789578 0.82 NR1H4 (0.48) KMT2A
SCHEMBL1789797 0.82 MEN1 (0.46) HDAC6KMT2ANAMPT
SCHEMBL1786904 0.82 MAPT (0.44) TP53KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1791301 0.82 HDAC6 (0.42) HDAC6TP53KMT2AHDAC8SMYD3
SCHEMBL1789721 0.82 MEN1 (0.47) HDAC6KMT2ANAMPT
SCHEMBL1787760 0.82 MAPT (0.50) TP53KMT2ASMN1; 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 HDAC6 683/4885TP53 4800/4885KMT2A 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.