SCHEMBL1787455

SCHEMBL1787455

COc1ccc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 2/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 3/20 0.50
GFER P55789 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
EPHX2 P34913 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1786904 0.91 MAPT (0.44) MAPTSMN1; SMN2TP53THRBLMNA
SCHEMBL1789725 0.89 EPHX2 (0.48) MAPTSMN1; SMN2TP53LMNAHDAC1
SCHEMBL1789578 0.87 NR1H4 (0.48) MAPTEPHX2KMT2ANR1H4
SCHEMBL1787760 0.86 MAPT (0.50) MAPTSMN1; SMN2TP53THRBLMNA
SCHEMBL1787567 0.86 NAMPT (0.53) MAPTTP53LMNATSHRNAMPT
SCHEMBL1788808 0.86 RAB9A (0.48) MAPTSMN1; SMN2TP53LMNANAMPT
SCHEMBL1791894 0.84 ALDH1A1 (0.48) MAPTSMN1; SMN2LMNAPOLBNAMPT
SCHEMBL1790575 0.84 LSS (0.50) NAMPTHDAC1HDAC6EPHX2
SCHEMBL1792485 0.83 MAPT (0.58) MAPTSMN1; SMN2TP53THRBLMNA
SCHEMBL1789140 0.82 HDAC1 (0.44) MAPTSMN1; SMN2LMNAGFERTSHR

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 MAPT 3598/4885SMN1; SMN2 4393/4885TP53 4800/4885

“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.