SCHEMBL23928654

SCHEMBL23928654

O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.81
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
POLB P06746 1/20 0.68
TP53 P04637 1/20 0.61
RECQL P46063 1/20 0.61
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL22095633 0.90 AURKA (1.00) AURKAMEN1KMT2APOLBTP53
SCHEMBL23928643 0.90 AURKA (0.77) AURKAMEN1KMT2APOLBTP53
SCHEMBL22095453 0.89 AURKA (0.86) AURKAMEN1KMT2APOLBTP53
SCHEMBL22095473 0.88 AURKA (1.00) AURKAMEN1KMT2APOLBTP53
SCHEMBL23928649 0.88 AURKA (0.88) AURKAMEN1KMT2APOLBTP53
SCHEMBL22095463 0.87 AURKA (0.86) AURKAMEN1KMT2APOLBTP53
SCHEMBL22095188 0.87 MAPT (0.78) AURKAMEN1KMT2ATP53MAPT
SCHEMBL22095553 0.85 AURKA (0.79) AURKAMEN1KMT2APOLBTP53
SCHEMBL22095638 0.85 AURKA (0.83) AURKAMEN1KMT2APOLBTP53
SCHEMBL23928625 0.85 AURKA (0.71) AURKAMEN1KMT2APOLBTP53

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.