SCHEMBL23928614

SCHEMBL23928614

C/C(=N\Nc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 1.00
THRB P10828 3/20 1.00
KMT2A Q03164 13/20 0.71
MEN1 O00255 11/20 0.71
GAA P10253 5/20 0.71
ALDH1A1 P00352 4/20 0.71
HTT P42858 3/20 0.71
MAPK1 P28482 3/20 0.71
GFER P55789 2/20 0.71
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALOX12 P18054 1/20 0.70
NPSR1 Q6W5P4 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MMP14 P50281 1/20 0.58
RAB9A P51151 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL13576573 0.89 MAPT (0.88) MAPTTHRBKMT2AMEN1GAA
SCHEMBL10172988 0.82 MAPT (0.77) MAPTTHRBKMT2AMEN1GAA
SCHEMBL22095307 0.82 MAPT (0.76) MAPTTHRBKMT2AMEN1GAA
SCHEMBL23928590 0.82 MAPT (0.76) MAPTTHRBKMT2AMEN1GAA
SCHEMBL9790530 0.82 KMT2A (0.76) MAPTTHRBKMT2AMEN1GAA
SCHEMBL22095308 0.82 MAPT (0.76) MAPTTHRBKMT2AMEN1GAA
SCHEMBL23928537 0.80 MAPT (0.67) MAPTTHRBKMT2AGAAALDH1A1
SCHEMBL15217655 0.80 MAPT (0.72) MAPTTHRBKMT2AMEN1GAA
SCHEMBL23928657 0.79 MAPT (0.64) MAPTTHRBKMT2AMEN1GAA
SCHEMBL12670654 0.79 MAPT (0.64) MAPTTHRBKMT2AMEN1GAA

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 4083/4885THRB 3666/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885THRB 3666/4885KMT2A 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.