SCHEMBL23928569

SCHEMBL23928569

CS(=O)(=O)c1ccc(-c2nn(-c3cccc(C#N)c3)cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
AURKA O14965 5/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL23928485 0.93 AURKA (0.56) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928656 0.89 MEN1 (0.53) AURKAMAPTALDH1A1KDM4ELMNA
SCHEMBL22095635 0.89 MAPT (0.61) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928567 0.88 NR1H4 (0.55) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928505 0.88 MEN1 (0.49) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928638 0.86 MEN1 (0.59) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928653 0.83 AURKA (0.51) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928508 0.82 MEN1 (0.52) AURKAMAPTALDH1A1KDM4ELMNA
SCHEMBL23928583 0.81 MAPT (0.53) NR1H4AURKAMAPTALDH1A1KDM4E
SCHEMBL23928474 0.80 MAPT (0.55) MAPTALDH1A1MEN1KMT2ACA12

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 NR1H4 2345/4885AURKA 3852/4885MAPT 4083/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 NR1H4 2345/4885AURKA 3852/4885MAPT 4083/4885

“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.