SCHEMBL23928576

SCHEMBL23928576

CC(=O)Oc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.77
ATM Q13315 1/20 0.77
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 1/20 0.61
MAPT P10636 4/20 0.59
AURKA O14965 7/20 0.58
PPARG P37231 1/20 0.57
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL6681990 0.87 L3MBTL1 (1.00) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL28771391 0.83 ALDH1A1 (0.78) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4501557 0.83 ALDH1A1 (0.82) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL23928541 0.82 KMT2A (0.73) L3MBTL1ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL6683128 0.82 L3MBTL1 (0.73) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4502915 0.81 ALDH1A1 (0.74) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL14132424 0.80 L3MBTL1 (0.72) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL23928603 0.80 ALDH1A1 (0.72) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL4257667 0.80 ALDH1A1 (0.72) L3MBTL1ATMALDH1A1KDM4EHPGD
SCHEMBL23928676 0.80 AURKA (0.66) L3MBTL1ATMALDH1A1KDM4EHPGD

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 L3MBTL1 4048/4885ATM 4205/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 L3MBTL1 4048/4885ATM 4205/4885ALDH1A1 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.