SCHEMBL22095059

SCHEMBL22095059

CS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.67
TP53 P04637 2/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RAB9A P51151 1/20 0.63
KDM5B Q9UGL1 1/20 0.63
MAPT P10636 2/20 0.61

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
SCHEMBL22095314 0.94 AURKA (0.76) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095046 0.92 AURKA (0.81) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095014 0.92 AURKA (0.80) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095290 0.91 MEN1 (0.74) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095087 0.89 AURKA (0.84) AURKATP53MEN1KMT2AMAPT
SCHEMBL22095292 0.89 MAPT (0.65) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095213 0.87 AURKA (0.61) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL22095639 0.85 LMNA (0.63) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL23928690 0.85 MAPT (0.63) AURKATP53MEN1KMT2AMAPT
SCHEMBL22095548 0.85 MAPT (0.81) AURKATP53MEN1KMT2ASMN1; SMN2

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 3 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
WO-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO 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 3852/4885TP53 4039/4885MEN1 3040/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885TP53 4039/4885MEN1 3040/4885

“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.