SCHEMBL23928481

SCHEMBL23928481

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.57
CA12 O43570 5/20 0.57
CA9 Q16790 5/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
PPARG P37231 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5947916 0.86 AURKA (0.74) AURKACA12CA9CA1CA2
SCHEMBL23928488 0.84 ALDH1A1 (0.67) AURKAMEN1KMT2APOLBLMNA
SCHEMBL22095311 0.84 AURKA (0.81) AURKAMEN1KMT2APOLBMAPT
SCHEMBL23928500 0.82 CA12 (0.73) CA12CA9CA1CA2PTGS2
SCHEMBL16597830 0.81 PPARG (0.68) AURKACA12CA9CA1CA2
SCHEMBL23928622 0.81 PTGS2 (0.69) CA12CA9CA1CA2MEN1
SCHEMBL30963700 0.81 L3MBTL1 (0.74) AURKACA12CA9CA1CA2
SCHEMBL23928516 0.79 AURKA (0.65) AURKACA12CA9CA1CA2
SCHEMBL23928662 0.79 MAPT (0.55) CA12CA9CA1CA2MEN1
SCHEMBL23928613 0.79 ALDH1A1 (0.47) AURKACA12CA9CA1CA2

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 AURKA 3852/4885CA12 4702/4885CA9 4751/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 AURKA 3852/4885CA12 4702/4885CA9 4751/4885

“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.