SCHEMBL23928648

SCHEMBL23928648

CSc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ ATM Q13315 1/20 0.68
▸ ALDH1A1 P00352 6/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ MAPT P10636 2/20 0.58
▸ LMNA P02545 2/20 0.57
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ AURKA O14965 6/20 0.54
▸ TP53 P04637 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ RAB9A P51151 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
SCHEMBL28771391 0.86 ALDH1A1 (0.78) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL4501557 0.85 ALDH1A1 (0.82) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL6683128 0.85 L3MBTL1 (0.73) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL4502915 0.83 ALDH1A1 (0.74) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL4257667 0.82 ALDH1A1 (0.72) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL23928603 0.82 ALDH1A1 (0.72) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL14132424 0.82 L3MBTL1 (0.72) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL6681990 0.81 L3MBTL1 (1.00) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD
SCHEMBL11240471 0.81 KDM4E (0.76) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL6681044 0.80 ALDH1A1 (1.00) L3MBTL1ATMALDH1A1SMN1; SMN2HPGD

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.

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