SCHEMBL23928559

SCHEMBL23928559

CC(=O)n1cccc1C(=O)N1CCN(c2ccc(C=O)c(N3CCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.38
USP2 O75604 4/20 0.37
CYP1A2 P05177 4/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL23928600 0.83 MAPT (0.43) MAPTPOLBALDH1A1GAATP53
SCHEMBL23928587 0.82 NPSR1 (0.60) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL30124974 0.80 ALDH1A1 (0.48) MAPTPOLBALDH1A1GAATP53
SCHEMBL23928610 0.76 GAA (0.52) MAPTPOLBALDH1A1GAATP53
SCHEMBL23928631 0.76 GAA (0.52) MAPTPOLBALDH1A1GAATP53
SCHEMBL23928531 0.76 HPGDS (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30124908 0.73 PARP14 (0.48) MAPTPOLBALDH1A1TP53MEN1
SCHEMBL23928553 0.73 GAA (0.57) MAPTPOLBALDH1A1GAATP53
SCHEMBL30124760 0.72 NAMPT (0.47) POLBTP53SMN1; SMN2MEN1KMT2A
SCHEMBL23928588 0.72 GAA (0.56) MAPTPOLBALDH1A1GAATP53

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 4083/4885POLB 1596/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885POLB 1596/4885ALDH1A1 1/4885

“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.