SCHEMBL23928622

SCHEMBL23928622

N#Cc1ccc(-n2cc(C=O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.69
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.50
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL23928543 0.84 PTGS2 (0.72) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL9790610 0.84 PTGS2 (0.72) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL23928665 0.83 PTGS2 (0.80) PTGS2ALDH1A1LMNARAB9AHDAC1
SCHEMBL23928702 0.83 PTGS2 (0.74) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL12670651 0.83 PTGS2 (0.74) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL23928481 0.81 AURKA (0.57) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL23928605 0.79 PTGS2 (0.54) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL23928615 0.76 PTGS2 (0.51) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL23928507 0.76 PTGS2 (0.51) PTGS2MAPTALDH1A1LMNAHPGD
SCHEMBL11606952 0.73 PTGS2 (0.57) PTGS2MAPTALDH1A1LMNAHPGD

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 908/4885MAPT 4083/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885MAPT 4083/4885ALDH1A1 1/4885

“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.