SCHEMBL23928679

SCHEMBL23928679

CS(=O)(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)cc2C(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
CA12 O43570 7/20 0.56
CA9 Q16790 7/20 0.56
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
POLB P06746 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRG P62508 1/20 0.49
AURKA O14965 2/20 0.49
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL23928673 0.92 MEN1 (0.65) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928683 0.92 MEN1 (0.58) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928658 0.92 MEN1 (0.64) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928677 0.90 AURKA (0.60) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL22095289 0.90 MEN1 (0.67) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928563 0.89 MEN1 (0.60) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL22095167 0.88 MEN1 (0.72) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL23928644 0.88 MEN1 (0.54) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928695 0.88 CA12 (0.55) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL23928696 0.86 MEN1 (0.57) MEN1KMT2ACA12CA9ALDH1A1

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 MEN1 3040/4885KMT2A 1384/4885CA12 4702/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MEN1 3040/4885KMT2A 1384/4885CA12 4702/4885

“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.