SCHEMBL23928495

SCHEMBL23928495

Cn1cccc1C(=O)N1CCN(c2ccnc([N+](=O)[O-])c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CYP1A2 P05177 11/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 8/20 0.49
CYP2C19 P33261 8/20 0.49
CYP3A4 P08684 10/20 0.48
MAPK1 P28482 4/20 0.48
USP2 O75604 8/20 0.47
HPGD P15428 4/20 0.47
HIF1A Q16665 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CASP1 P29466 1/20 0.45
TSHR P16473 5/20 0.44
HPGDS O60760 3/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL23928581 0.82 GAA (0.58) GAACYP1A2SMN1; SMN2CYP2D6CYP2C9
SCHEMBL23928626 0.80 GAA (0.56) GAACYP1A2SMN1; SMN2CYP2D6CYP2C9
SCHEMBL23928499 0.77 NPSR1 (0.62) GAACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL22111256 0.76 NPSR1 (0.64) GAACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL23928650 0.76 GAA (0.52) GAACYP1A2SMN1; SMN2CYP2D6CYP3A4
SCHEMBL5658689 0.74 USP2 (0.78) GAACYP1A2SMN1; SMN2CYP2D6CYP2C9
SCHEMBL28735924 0.71 MAPT (0.58) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL23928645 0.70 GAA (0.55) GAACYP1A2SMN1; SMN2CYP2D6CYP2C9
SCHEMBL23104631 0.70 CDK1 (0.43) MAPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL23928553 0.70 GAA (0.57) GAACYP1A2SMN1; SMN2CYP2D6CYP2C9

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 GAA 3740/4885CYP1A2 17/4885SMN1; SMN2 2873/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885CYP1A2 17/4885SMN1; SMN2 2873/4885

“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.