SCHEMBL1789140

SCHEMBL1789140

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1787455 0.82 MAPT (0.55) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL1789887 0.81 HDAC6 (0.43) HDAC6ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1789138 0.79 HRH3 (0.53) ALDH1A1TSHRKMT2A
SCHEMBL1786904 0.75 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL1787356 0.74 ALDH1A1 (0.57) HDAC6ALDH1A1MAPTSRD5A1SRD5A2
SCHEMBL1787567 0.73 NAMPT (0.53) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL16689961 0.72 KMT2A (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1790900 0.72 HDAC6 (0.47) HDAC6ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL1792228 0.72 ALDH1A1 (0.42) HDAC1HDAC6ALDH1A1
SCHEMBL1791095 0.72 ALDH1A1 (0.42) HDAC6ALDH1A1KMT2APOLB

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 HDAC1 237/4885HDAC6 683/4885ALDH1A1 1526/4885

“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.