SCHEMBL23928641

SCHEMBL23928641

CC(=O)Nc1cc(N2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 5/20 0.77
KMT2A Q03164 1/20 0.64
MAPT P10636 5/20 0.55
MAPK1 P28482 1/20 0.55
PAX8 Q06710 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
ALOX12 P18054 1/20 0.52
GPR174 Q9BXC1 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL1840936 0.83 ALDH1A1 (0.64) DCTPP1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL22095026 0.82 MAPT (0.55) DCTPP1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL2463380 0.81 DCTPP1 (0.67) DCTPP1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL23928687 0.81 DCTPP1 (0.66) DCTPP1KMT2AMAPTMAPK1PAX8
SCHEMBL2483606 0.79 ALDH1A1 (0.69) DCTPP1KMT2AMAPTPAX8ALDH1A1
SCHEMBL6708638 0.77 ALDH1A1 (0.77) DCTPP1KMT2AMAPTMAPK1PAX8
SCHEMBL30125018 0.76 MAPT (0.61) DCTPP1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7809558 0.76 MAPT (0.67) KMT2AMAPTMAPK1ALDH1A1LMNA
SCHEMBL7937307 0.74 ALDH1A1 (0.65) DCTPP1KMT2AMAPTMAPK1PAX8
SCHEMBL24711152 0.74 MAPT (0.77) KMT2AMAPTMAPK1PAX8ALDH1A1

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 DCTPP1 1257/4885KMT2A 1384/4885MAPT 4083/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 DCTPP1 1257/4885KMT2A 1384/4885MAPT 4083/4885

“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.