SCHEMBL9429028

SCHEMBL9429028

N#Cc1ccccc1-n1ccc2c(CO)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
XIAP P98170 1/20 0.44
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 2/20 0.40
TSHR P16473 4/20 0.40
HTR3A P46098 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL9343076 0.86 XIAP (0.44) HTR7ALDH1A1SMN1; SMN2MAPTXIAP
SCHEMBL9428481 0.78 TSHR (0.46) HTR7ALDH1A1SMN1; SMN2MAPTXIAP
SCHEMBL8926318 0.77 HTR3A (0.45) HTR7ALDH1A1SMN1; SMN2XIAPGALR3
SCHEMBL15565198 0.75 HTR7 (0.40) HTR7ALDH1A1SMN1; SMN2MAPTXIAP
SCHEMBL8290172 0.74 ESRRA (0.45) HTR7CYP19A1LOXL2KDM4E
SCHEMBL27715919 0.74 HTR7 (0.48) HTR7ALDH1A1SMN1; SMN2MAPTXIAP
SCHEMBL9429762 0.74
SCHEMBL30496165 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTGALR3RAB9A
SCHEMBL483697 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTGALR3RAB9A
SCHEMBL699112 0.72 BIRC5 (0.43) HTR7TSHRKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
US-5374615-A Treating hypertension and congestive heart failure, preventing cardiac hypertrophy E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5236916-A Oxadiazinone substituted indole and benzimidazole derivatives E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
EP-0488532-A1 Indole- and benzimidazole-substituted imidazole and benzimidazole derivatives E.R. Squibb & Sons, Inc. (US) 1992-06-03 EP 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 HTR7 189/4885ALDH1A1 2459/4885SMN1; SMN2 3458/4885

“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.