SCHEMBL23928527

SCHEMBL23928527

O=Cc1cn(-c2ccccc2)nc1-c1ccc(O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.80
POLB P06746 3/20 0.74
KMT2A Q03164 8/20 0.72
ALDH1A1 P00352 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 7/20 0.69
NLRP3 Q96P20 1/20 0.69
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
PSMD14 O00487 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56

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
SCHEMBL28358360 0.89 PTGS2 (0.94) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL3447906 0.89 PTGS2 (1.00) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL11250330 0.85 POLB (1.00) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL11254624 0.85 PTGS2 (0.80) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23392558 0.85 PTGS2 (0.86) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL10579042 0.85 PTGS2 (0.80) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL30511886 0.84 POLB (0.97) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928502 0.84 KMT2A (1.00) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928608 0.83 PTGS2 (0.72) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928513 0.83 PTGS2 (0.72) PTGS2POLBKMT2AALDH1A1SMN1; SMN2

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.