SCHEMBL30124974

SCHEMBL30124974

CC(=O)n1cccc1C(=O)N1CCN(c2ccc(C=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
HPGDS O60760 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL30125105 0.85 CYP1A2 (0.58) ALDH1A1SMN1; SMN2USP2MEN1KMT2A
SCHEMBL30124908 0.82 PARP14 (0.48) ALDH1A1CASP6GFERUSP2MEN1
SCHEMBL30124760 0.81 NAMPT (0.47) SMN1; SMN2KDM4ECASP6GFERUSP2
SCHEMBL23928559 0.80 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EUSP2MEN1
SCHEMBL377648 0.79 GFER (0.65) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL378044 0.74 TRIM24 (0.62) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL23928600 0.73 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4ECASP6GFER
SCHEMBL4756395 0.72 TRIM24 (0.61) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL23928587 0.72 NPSR1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL30124665 0.71 NAMPT (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885TRIM24 2632/4885TRIM33 1748/4885

“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.