SCHEMBL11072023

SCHEMBL11072023

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 2/20 0.53
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.47
GPR35 Q9HC97 4/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47

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
Pyridine SCHEMBL11707806 0.89 CA1 (0.56) CA1CA2KMT2AHTTALDH1A1
SCHEMBL11317378 0.88 CA1 (0.56) CA1CA2KMT2AHTTALDH1A1
SCHEMBL1649527 0.88 CA1 (0.79) CA1CA2KMT2AHTTALDH1A1
SCHEMBL11529139 0.86 CA1 (0.76) CA1CA2KMT2AHTTALDH1A1
Ammonia Solution, Strong SCHEMBL8646817 0.86 CA1 (0.76) CA1CA2KMT2AHTTALDH1A1
SCHEMBL11063854 0.84 CA1 (0.58) CA1CA2KMT2AHTTALDH1A1
SCHEMBL28328289 0.84 CA1 (0.54) CA1CA2KMT2AHTTALDH1A1
SCHEMBL1509253 0.83 CA1 (0.56) CA1CA2KMT2AHTTALDH1A1
SCHEMBL8633874 0.81 CA1 (1.00) CA1CA2KMT2AHTTALDH1A1
SCHEMBL4850974 0.81 CA1 (0.54) CA1CA2KMT2AHTTALDH1A1

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-12258315-B2 S6K1 protein kinase inhibitors as cancer therapeutics XAVIER UNIVERSITY OF LOUISIANA (US) 2025-03-25 US disclosed
US-20240158351-A1 S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS XAVIER UNIVERSITY OF LOUISIANA 2024-05-16 US disclosed
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
US-4480105-A PHOTOCROSSLINKING POLYMERS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4363917-A SENSITIZERS FOR PHOTOCROSSLINKABLE POLYMERS; PHOTOPOLYMERIZATION INITIATORS CIBA-GEIGY CORPORATION (US) 1982-12-14 US disclosed
US-4233220-A Imidyl-benzene-dicarboxylic and -tricarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4132716-A Imidyl-benzene-dicarboxylic and -tricarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed
US-4007201-A ANTIDIABETIC KYORIN PHARMACEUTICAL CO. LTD. (JA) 1977-02-08 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 (4 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-12258315-B2 S6K1 protein kinase inhibitors as cancer therapeutics RPS6KA6, RPS6KA1, RPS6KA3 CA1 4839/4885CA2 4437/4885KMT2A 2003/4885
US-20210323919-A1 S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS RPS6KA6, RPS6KA1, RPS6KA3 CA1 4839/4885CA2 4437/4885KMT2A 2003/4885
US-11912660-B2 S6K1 protein kinase inhibitors as cancer therapeutics RPS6KA6, RPS6KA1, RPS6KA3 CA1 4839/4885CA2 4437/4885KMT2A 2003/4885
US-20240158351-A1 S6K1 PROTEIN KINASE INHIBITORS AS CANCER THERAPEUTICS RPS6KA6, RPS6KA1, RPS6KA3 CA1 4839/4885CA2 4437/4885KMT2A 2003/4885

“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.