SCHEMBL23934276

SCHEMBL23934276

Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc2c1C(=O)NC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.65
CASP2 P42575 1/20 0.65
CASP7 P55210 1/20 0.65
CASP6 P55212 1/20 0.65
CASP8 Q14790 1/20 0.65
KMT2A Q03164 7/20 0.53
MEN1 O00255 5/20 0.53
TYMS P04818 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 4/20 0.47
MITF O75030 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL23934294 0.89 CASP3 (0.53) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23923268 0.88 CASP3 (0.67) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934210 0.85 KMT2A (0.51) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934277 0.83 KMT2A (0.49) CASP3CASP2CASP7CASP6CASP8
SCHEMBL27099936 0.83 KMT2A (0.52) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934221 0.83 CASP3 (0.60) CASP3KMT2AMEN1RAB9APOLB
SCHEMBL6266376 0.82 CASP3 (0.88) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934274 0.80 KMT2A (0.46) CASP3KMT2AMEN1RAB9ANPC1
SCHEMBL23934209 0.79 RXFP1 (0.47) CASP3CASP2CASP7CASP6CASP8
SCHEMBL12857744 0.79 CASP3 (1.00) CASP3CASP2CASP7CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912660-B2 S6K1 protein kinase inhibitors as cancer therapeutics XAVIER UNIVERSITY OF LOUISIANA (US) 2024-02-27 US disclosed
US-20210323919-A1 S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS XAVIER UNIVERSITY OF LOUISIANA 2021-10-21 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 (2 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-20210323919-A1 S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS RPS6KA6, RPS6KA1, RPS6KA3 CASP3 3051/4885CASP2 3788/4885CASP7 3432/4885
US-11912660-B2 S6K1 protein kinase inhibitors as cancer therapeutics RPS6KA6, RPS6KA1, RPS6KA3 CASP3 3051/4885CASP2 3788/4885CASP7 3432/4885

“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.