SCHEMBL23928475

SCHEMBL23928475

CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
LMNA P02545 3/20 0.73
MAPK1 P28482 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
NPSR1 Q6W5P4 1/20 0.71
PPARG P37231 1/20 0.70
AURKA O14965 5/20 0.66
CA12 O43570 5/20 0.64
CA9 Q16790 5/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59

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
SCHEMBL16597870 0.92 PPARG (0.66) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL23928476 0.88 MAPT (0.75) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL22331103 0.87 NPSR1 (0.86) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL16597705 0.85 MEN1 (0.62) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL7965075 0.84 NPSR1 (0.77) MAPTMEN1KMT2AMAPK1NPSR1
SCHEMBL5947916 0.84 AURKA (0.74) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL23928482 0.83 CA12 (0.80) MAPTMEN1KMT2AMAPK1NPSR1
SCHEMBL11765148 0.83 MAPT (0.67) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL23928685 0.83 AURKA (0.73) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL22095208 0.83 AURKA (0.64) MAPTMEN1KMT2ALMNAMAPK1

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 MAPT 4083/4885MEN1 3040/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885MEN1 3040/4885KMT2A 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.