SCHEMBL23928513

SCHEMBL23928513

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.72
POLB P06746 2/20 0.67
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
NLRP3 Q96P20 1/20 0.67
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPT P10636 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.51

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
SCHEMBL23928608 0.87 PTGS2 (0.72) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL23928479 0.86 KMT2A (0.70) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL22095108 0.85 PTGS2 (0.68) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL28358360 0.84 PTGS2 (0.94) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL3447906 0.84 PTGS2 (1.00) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL23928605 0.84 PTGS2 (0.54) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL19652416 0.84 PTGS2 (0.76) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL23928541 0.84 KMT2A (0.73) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL23928530 0.84 PTGS2 (0.67) PTGS2POLBKMT2AMEN1NLRP3
SCHEMBL23928527 0.83 PTGS2 (0.80) PTGS2POLBKMT2AMEN1NLRP3

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 908/4885POLB 1596/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885POLB 1596/4885KMT2A 1384/4885

“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.