SCHEMBL23928615

SCHEMBL23928615

COC(=O)c1ccc(-c2nn(-c3ccc(C#N)cc3)cc2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.46
PTGES O14684 1/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
HSP90AA1 P07900 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL23928605 0.88 PTGS2 (0.54) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL23928526 0.86 PTGS2 (0.55) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL23928479 0.85 KMT2A (0.70) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL12670646 0.85 PTGS2 (0.67) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL23928662 0.83 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL23928507 0.83 PTGS2 (0.51) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL23928532 0.83 PTGS2 (0.69) PTGS2KMT2AMEN1NLRP3CA12
SCHEMBL23928665 0.80 PTGS2 (0.80) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL23928702 0.80 PTGS2 (0.74) PTGS2KMT2AMEN1NLRP3ALDH1A1
SCHEMBL12670651 0.80 PTGS2 (0.74) PTGS2KMT2AMEN1NLRP3ALDH1A1

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 PTGS2 908/4885KMT2A 1384/4885MEN1 3040/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885KMT2A 1384/4885MEN1 3040/4885

“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.