SCHEMBL1787247

SCHEMBL1787247

Cc1cc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
ROCK2 O75116 7/20 0.35
ROCK1 Q13464 1/20 0.35
TP53 P04637 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1787647 0.85 KMT2A (0.47) KMT2AHDAC6ROCK2ROCK1TP53
SCHEMBL1792607 0.84 ROCK2 (0.48) KMT2AROCK2CYP3A4
SCHEMBL1787944 0.84 MAPT (0.41) KMT2AHDAC6ROCK2TP53OPRM1
SCHEMBL1786312 0.83 RAB9A (0.42) KMT2AHDAC6ROCK2ROCK1OPRM1
SCHEMBL1789788 0.83 ABCB1 (0.39) KMT2AHDAC6ROCK2ROCK1MAPT
SCHEMBL1791556 0.82 ITK (0.44) KMT2AHDAC6ROCK2ROCK1
SCHEMBL1788606 0.82 NAMPT (0.48) KMT2AHDAC6ROCK2MAPTCYP3A4
SCHEMBL1787644 0.82 ALDH1A1 (0.53) KMT2ATP53MAPT
SCHEMBL1789970 0.82 ROCK2 (0.49) KMT2AHDAC6ROCK2TP53MAPT
SCHEMBL1787686 0.81 NAMPT (0.49) KMT2AHDAC6ROCK2ROCK1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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 KMT2A 731/4885HDAC6 683/4885ROCK2 2377/4885

“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.