SCHEMBL23928665

SCHEMBL23928665

N#Cc1ccc(-n2cc(C=O)c(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.80
POLB P06746 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.49
NLRP3 Q96P20 1/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RAB9A P51151 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
SCHEMBL12670651 0.87 PTGS2 (0.74) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928702 0.87 PTGS2 (0.74) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928605 0.83 PTGS2 (0.54) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928622 0.83 PTGS2 (0.69) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL20718854 0.83 PTGS2 (0.86) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL12922059 0.83 PTGS2 (0.86) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL11258735 0.82 PTGS2 (0.86) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23392558 0.82 PTGS2 (0.86) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928615 0.80 PTGS2 (0.51) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928507 0.80 PTGS2 (0.51) 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.