SCHEMBL4121093

SCHEMBL4121093

O=c1[nH]c2ccccc2c2ccccc2c1=NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
PARP1 P09874 6/20 0.62
ALDH1A1 P00352 4/20 0.62
GPR3 P46089 2/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TNKS O95271 1/20 0.62
CYP1A2 P05177 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
PARP15 Q460N3 1/20 0.62
TNKS2 Q9H2K2 1/20 0.62
MAPT P10636 2/20 0.52
IDE P14735 1/20 0.52
MPI P34949 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
GRIN2D O15399 3/20 0.49

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
SCHEMBL4121090 1.00 KDM4E (0.62) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL8811808 0.85 PARP1 (0.62) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL8811813 0.85 PARP1 (0.62) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL17293 0.78 PARP1 (1.00) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL29593478 0.78 PARP1 (1.00) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL30090619 0.78 PARP1 (1.00) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL31326568 0.78 PARP1 (1.00) KDM4EPARP1ALDH1A1GPR3HSD17B10
Hydrochloric Acid SCHEMBL30293260 0.76 PARP1 (0.95) KDM4EPARP1ALDH1A1GPR3HSD17B10
Water SCHEMBL11582787 0.76 PARP1 (0.95) KDM4EPARP1ALDH1A1GPR3HSD17B10
SCHEMBL8872669 0.74 KDM4E (0.57) KDM4EPARP1ALDH1A1GPR3HSD17B10

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
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 US disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 KDM4E 2342/4885PARP1 931/4885ALDH1A1 633/4885

“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.