SCHEMBL23928630

SCHEMBL23928630

Cc1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(C(=O)c2cccn2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.51
HPGDS O60760 6/20 0.47
GAA P10253 1/20 0.45
USP2 O75604 4/20 0.44
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL23928546 0.76 GAA (0.49) HPGDSGAAUSP2CYP3A4POLB
SCHEMBL23928580 0.76 GAA (0.49) HPGDSGAAUSP2CYP3A4POLB
SCHEMBL23928553 0.70 GAA (0.57) HPGDSGAAUSP2CYP3A4POLB
SCHEMBL14590544 0.70 KMT2A (0.57) GAAUSP2CYP3A4HIF1ASMN1; SMN2
SCHEMBL5655889 0.68 KMT2A (0.63) HPGDSGAAUSP2CYP3A4HIF1A
SCHEMBL1664653 0.68 HPGDS (0.51) HPGDS
SCHEMBL5658689 0.68 USP2 (0.78) HPGDSGAAUSP2CYP3A4HIF1A
SCHEMBL23928512 0.67 GAA (0.53) HPGDSGAAUSP2CYP3A4HIF1A
SCHEMBL22111258 0.67 GAA (0.48) HPGDSGAAUSP2CYP3A4POLB
SCHEMBL1663209 0.66 HPGDS (0.51) HPGDSSMN1; SMN2ALDH1A1HTR1DHTR1B

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 NPY2R 3693/4885HPGDS 491/4885GAA 3740/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 NPY2R 3693/4885HPGDS 491/4885GAA 3740/4885

“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.