SCHEMBL22095084

SCHEMBL22095084

COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
AURKA O14965 6/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL22094956 0.87 LMNA (0.62) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095567 0.84 AURKA (0.81) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095109 0.83 LMNA (0.67) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095570 0.83 MEN1 (0.82) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095223 0.83 AURKA (0.77) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095640 0.82 MAPT (0.75) MEN1KMT2AAURKAMAPTLMNA
SCHEMBL22095111 0.82 MEN1 (0.69) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL23928545 0.81 AURKA (0.76) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL22095056 0.81 AURKA (0.80) MEN1KMT2AAURKAMAPTKDM4E
SCHEMBL23928595 0.80 MEN1 (0.73) MEN1KMT2AAURKAMAPTKDM4E

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 MEN1 3040/4885KMT2A 1384/4885AURKA 3852/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MEN1 3040/4885KMT2A 1384/4885AURKA 3852/4885

“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.