SCHEMBL23928515

SCHEMBL23928515

O=C(NO)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.79
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 1/20 0.68
PPARG P37231 1/20 0.65
CA12 O43570 4/20 0.62
CA9 Q16790 4/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 2/20 0.59
GAA P10253 1/20 0.59
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57

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
SCHEMBL23928535 0.89 AURKA (0.78) AURKAMEN1KMT2APOLBPPARG
SCHEMBL22095633 0.88 AURKA (1.00) AURKAMEN1KMT2APOLBPPARG
SCHEMBL5947916 0.88 AURKA (0.74) AURKAMEN1KMT2APOLBPPARG
SCHEMBL23928621 0.86 AURKA (0.73) AURKAMEN1KMT2APOLBPPARG
SCHEMBL23928685 0.86 AURKA (0.73) AURKAMEN1KMT2APOLBPPARG
SCHEMBL23928509 0.86 AURKA (0.73) AURKAMEN1KMT2APOLBPPARG
SCHEMBL976547 0.86 AURKA (0.74) AURKAMEN1KMT2ACA12CA9
SCHEMBL22095566 0.85 AURKA (0.72) AURKAMEN1KMT2APOLBPPARG
SCHEMBL23928504 0.85 CA12 (0.75) AURKAMEN1KMT2APOLBPPARG
SCHEMBL23928476 0.85 MAPT (0.75) AURKAMEN1KMT2APOLBPPARG

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 AURKA 3852/4885MEN1 3040/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885MEN1 3040/4885KMT2A 1384/4885

“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.