SCHEMBL23928642

SCHEMBL23928642

C[S+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
AURKA O14965 10/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 2/20 0.58
HSP90AA1 P07900 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL23928628 0.90 MAPT (0.79) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23928681 0.89 MEN1 (0.73) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22095570 0.88 MEN1 (0.82) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22095223 0.88 AURKA (0.77) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22095056 0.87 AURKA (0.80) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23928595 0.86 MEN1 (0.73) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22094961 0.86 AURKA (0.79) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22095289 0.86 MEN1 (0.67) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22094958 0.85 MEN1 (0.71) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL22095567 0.85 AURKA (0.81) MEN1KMT2AKDM4EMAPTALDH1A1

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 1384/4885KDM4E 1675/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MEN1 3040/4885KMT2A 1384/4885KDM4E 1675/4885

“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.