SCHEMBL23928625

SCHEMBL23928625

O=C(Nc1ccccc1C(F)(F)F)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.71
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
PPARG P37231 1/20 0.55
RORC P51449 1/20 0.54
TP53 P04637 2/20 0.53
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
RECQL P46063 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL22095083 0.87 AURKA (0.76) AURKAMEN1KMT2APOLBGAA
SCHEMBL22095117 0.87 MEN1 (0.64) AURKAMEN1KMT2AGAALMNA
SCHEMBL22095587 0.86 AURKA (0.77) AURKAMEN1KMT2APOLBGAA
SCHEMBL22095382 0.85 LMNA (0.78) AURKAMEN1KMT2APOLBGAA
SCHEMBL23928666 0.85 AURKA (0.76) AURKAMEN1KMT2APOLBGAA
SCHEMBL22095636 0.85 AURKA (0.76) AURKAMEN1KMT2APOLBGAA
SCHEMBL22095262 0.85 AURKA (0.76) AURKAMEN1KMT2APOLBGAA
SCHEMBL22095007 0.85 AURKA (0.71) AURKAMEN1KMT2APOLBGAA
SCHEMBL23928654 0.85 AURKA (0.81) AURKAMEN1KMT2APOLBLMNA
SCHEMBL22095245 0.84 AURKA (0.77) AURKAMEN1KMT2APOLBGAA

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.