SCHEMBL23934294

SCHEMBL23934294

Nc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc2c1C(=O)NC2=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.53
CASP2 P42575 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
ALOX5 P09917 6/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
P2RX1 P51575 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL23934276 0.89 CASP3 (0.65) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23923268 0.89 CASP3 (0.67) CASP3CASP2CASP7CASP6CASP8
SCHEMBL27100046 0.82 ALOX5 (0.49) CASP3ALOX5MEN1KMT2ASMN1; SMN2
SCHEMBL23934209 0.82 RXFP1 (0.47) CASP3CASP2CASP7CASP6CASP8
SCHEMBL6265840 0.80 CASP3 (0.72) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934210 0.79 KMT2A (0.51) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934221 0.79 CASP3 (0.60) CASP3MEN1KMT2A
SCHEMBL27099940 0.77 ALOX5 (0.43) CASP3CASP2CASP7CASP6CASP8
SCHEMBL23934277 0.77 KMT2A (0.49) CASP3CASP2CASP7CASP6CASP8
SCHEMBL9167111 0.76 ALOX5 (0.75) ALOX5MEN1KMT2ASMN1; SMN2P2RX1

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.