SCHEMBL23928522

SCHEMBL23928522

COC(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
L3MBTL1 Q9Y468 3/20 0.73
ATM Q13315 1/20 0.73
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
ALDH1A1 P00352 6/20 0.70
HPGD P15428 3/20 0.67
KDM4E B2RXH2 2/20 0.67
POLB P06746 1/20 0.67
HSP90AA1 P07900 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.60
RAB9A P51151 2/20 0.58
AURKA O14965 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58

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
SCHEMBL23928554 0.86 CA12 (0.72) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL23928662 0.86 MAPT (0.55) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL12264890 0.85 MAPT (1.00) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL6681990 0.84 L3MBTL1 (1.00) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL28771391 0.83 ALDH1A1 (0.78) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL4501557 0.83 ALDH1A1 (0.82) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL23928479 0.82 KMT2A (0.70) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6683128 0.82 L3MBTL1 (0.73) MAPTL3MBTL1ATMKMT2AMEN1
SCHEMBL4190133 0.81 MAPT (0.58) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4502915 0.81 ALDH1A1 (0.74) MAPTL3MBTL1ATMKMT2AMEN1

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 MAPT 4083/4885L3MBTL1 4048/4885ATM 4205/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885L3MBTL1 4048/4885ATM 4205/4885

“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.