SCHEMBL1788129

SCHEMBL1788129

O=C(NCc1ccc2c(c1)CCN(C1=CC=C1)CC2)C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
OGA O60502 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1792092 0.86 ALDH1A1 (0.43) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1788760 0.84 ACHE (0.43) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1788942 0.82 ALDH1A1 (0.38) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1788128 0.82 ERCC1 (0.43) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1787607 0.80 ALDH1A1 (0.39) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1788560 0.80 ACHE (0.37) ERCC1ERCC4ALDH1A1KDM4EHPGD
SCHEMBL1790232 0.80 KMT2A (0.40) MEN1KMT2ATDP1
SCHEMBL1791660 0.80 CCR8 (0.34) ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1787284 0.79 KMT2A (0.39) MEN1KMT2ATDP1
SCHEMBL1788770 0.78 SMN1; SMN2 (0.53) KDM4EMEN1KMT2A

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 ERCC1 3275/4885ERCC4 3883/4885ALDH1A1 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.