SCHEMBL1789087

SCHEMBL1789087

O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPK10 P53779 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC11 Q96DB2 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ITGB3 P05106 8/20 0.49
ITGAV P06756 8/20 0.49
ITGA2B P08514 2/20 0.49
ROCK2 O75116 1/20 0.49
RAB9A P51151 1/20 0.46

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
SCHEMBL1788442 0.83 ITGB3 (0.48) HDAC6HDAC11MAPTITGB3ITGAV
SCHEMBL1789085 0.81 SMN1; SMN2 (0.54) TSHRMAPK10HDAC6HDAC11SMN1; SMN2
SCHEMBL1793399 0.81 ITGB3 (0.47) HDAC6HDAC11ITGB3ITGAVITGA2B
SCHEMBL1788808 0.80 RAB9A (0.48) HDAC6SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL1789819 0.80 ROCK2 (0.49) HDAC6HDAC11SMN1; SMN2POLBMAPT
SCHEMBL1787589 0.79 MAPT (0.47) HDAC6KMT2AMAPTRAB9A
SCHEMBL1790165 0.79 ROCK2 (0.47) KMT2AMAPTROCK2RAB9A
SCHEMBL1790046 0.78 KDM4E (0.52) POLBKMT2AMAPTKDM4EITGB3
SCHEMBL1790327 0.77 GAA (0.48) SMN1; SMN2POLBMAPTKDM4EROCK2
SCHEMBL1790098 0.77 MAPT (0.48) HDAC6KMT2AMAPT

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 TSHR 617/4885MAPK10 3485/4885HDAC6 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.