SCHEMBL23928504

SCHEMBL23928504

NC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.75
CA1 P00915 5/20 0.75
CA2 P00918 5/20 0.75
CA9 Q16790 5/20 0.75
AURKA O14965 5/20 0.71
PPARG P37231 1/20 0.68
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
POLB P06746 1/20 0.61
ALDH1A1 P00352 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
PTGS2 P35354 2/20 0.56
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL16597826 0.90 CA12 (0.69) CA12CA1CA2CA9AURKA
SCHEMBL5947916 0.90 AURKA (0.74) CA12CA1CA2CA9AURKA
SCHEMBL23928515 0.85 AURKA (0.79) CA12CA1CA2CA9AURKA
SCHEMBL6259170 0.85 CA12 (0.75) CA12CA1CA2CA9AURKA
SCHEMBL23928535 0.84 AURKA (0.78) CA12CA1CA2CA9AURKA
SCHEMBL23928476 0.84 MAPT (0.75) CA12CA1CA2CA9AURKA
SCHEMBL23928478 0.84 ALDH1A1 (0.78) CA12CA1CA2CA9AURKA
SCHEMBL22095633 0.83 AURKA (1.00) AURKAPPARGMEN1KMT2AMAPT
SCHEMBL16597850 0.83 PPARG (0.57) CA12CA1CA2CA9AURKA
SCHEMBL23928621 0.82 AURKA (0.73) CA12CA1CA2CA9AURKA

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-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA1 3645/4885CA2 4424/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA1 3645/4885CA2 4424/4885

“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.