SCHEMBL23928544

SCHEMBL23928544

CS(=O)(=O)c1ccc(-c2nn(-c3ccccc3O)cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.51
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL23928632 0.83 AURKA (0.54) AURKAMAPTTP53MEN1KMT2A
SCHEMBL23928651 0.81 CA12 (0.52) AURKAMAPTTP53MEN1KMT2A
SCHEMBL23928688 0.80 MEN1 (0.52) AURKAMAPTTP53MEN1KMT2A
SCHEMBL23928653 0.79 AURKA (0.51) AURKAMAPTTP53MEN1KMT2A
SCHEMBL22095087 0.77 AURKA (0.84) AURKAMAPTTP53MEN1KMT2A
SCHEMBL23928686 0.77 CA12 (0.50) AURKAMAPTTP53MEN1KMT2A
SCHEMBL23928575 0.76 CA12 (0.66) MAPTMEN1KMT2ACA12CA9
SCHEMBL22095059 0.76 AURKA (0.67) AURKAMAPTTP53MEN1KMT2A
SCHEMBL22095314 0.75 AURKA (0.76) AURKAMAPTTP53MEN1KMT2A
SCHEMBL22095290 0.75 MEN1 (0.74) AURKAMAPTTP53MEN1KMT2A

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 3852/4885MAPT 4083/4885TP53 4039/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885MAPT 4083/4885TP53 4039/4885

“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.