SCHEMBL22095652

SCHEMBL22095652

Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.86
LMNA P02545 2/20 0.86
ALDH1A1 P00352 1/20 0.86
MAPT P10636 1/20 0.86
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
POLB P06746 1/20 0.73
AURKA O14965 10/20 0.66
TP53 P04637 1/20 0.66
KDM5B Q9UGL1 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL14133526 0.92 KDM4E (1.00) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL23928470 0.91 MEN1 (0.85) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL23928620 0.91 MEN1 (0.81) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL22095089 0.88 MEN1 (0.73) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL22095312 0.84 LMNA (0.81) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL23928564 0.84 MEN1 (0.81) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL22095548 0.83 MAPT (0.81) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL23928628 0.82 MAPT (0.79) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL22095645 0.82 AURKA (0.81) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL22095003 0.81 AURKA (0.67) KDM4ELMNAALDH1A1MAPTMEN1

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 KDM4E 1675/4885LMNA 1751/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 KDM4E 1675/4885LMNA 1751/4885ALDH1A1 1/4885

“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.