SCHEMBL31290976

SCHEMBL31290976

CC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.68
CA9 Q16790 3/20 0.68
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
GLA P06280 1/20 0.59
CASP1 P29466 1/20 0.59
BRCA1 P38398 1/20 0.59
CASP7 P55210 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOB P27338 4/20 0.57
MAOA P21397 2/20 0.57
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL3488219 1.00 CA12 (0.68) CA12CA9LMNAALDH1A1GAA
SCHEMBL10717733 0.88 CA12 (0.52) CA12CA9LMNAALDH1A1GAA
SCHEMBL4001852 0.86 POLB (0.69) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL30100149 0.86 MAOA (0.67) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL654558 0.86 MAOA (0.67) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL14423946 0.85 CA12 (0.57) CA12CA9LMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7803214 0.84 POLB (0.68) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL3609153 0.84 POLB (0.59) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL2104608 0.84 CA12 (0.56) CA12CA9LMNAALDH1A1KDM4E
SCHEMBL2102040 0.84 NPC1 (0.56) CA12CA9LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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 (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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH CA12 4818/4885CA9 4805/4885LMNA 3091/4885

“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.