SCHEMBL23928516

SCHEMBL23928516

N#Cc1ccc(-n2cc(C(=O)Nc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.65
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
POLB P06746 2/20 0.64
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 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
SCHEMBL22095267 0.89 AURKA (0.81) AURKAMEN1KMT2APOLBMAPT
SCHEMBL22095589 0.88 MEN1 (0.68) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928636 0.87 MEN1 (0.66) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928473 0.86 MEN1 (0.55) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928698 0.86 MEN1 (0.58) AURKAMEN1KMT2APOLBMAPT
SCHEMBL22095311 0.86 AURKA (0.81) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928597 0.85 MEN1 (0.54) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928675 0.84 MEN1 (0.56) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928480 0.84 MEN1 (0.54) AURKAMEN1KMT2AMAPTALDH1A1
SCHEMBL23928598 0.84 MEN1 (0.53) AURKAMEN1KMT2AMAPTALDH1A1

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.