SCHEMBL23928601

SCHEMBL23928601

O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.67
ALDH1A1 P00352 17/20 0.66
MAPT P10636 14/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP2C9 P11712 1/20 0.64
NPC1 O15118 1/20 0.64
CYP2D6 P10635 1/20 0.64
LMNA P02545 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
CYP1A2 P05177 1/20 0.62
GAA P10253 2/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL12684718 0.84 ALDH1A1 (0.82) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2388569 0.84 MAPT (0.80) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23928497 0.83 LMNA (0.78) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19381321 0.82 KMT2A (0.53) DCTPP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL23928612 0.82 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23928664 0.82 NPSR1 (0.62) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23928684 0.81 LMNA (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2463380 0.80 DCTPP1 (0.67) DCTPP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL23928492 0.80 NPSR1 (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1842484 0.78 DCTPP1 (0.72) DCTPP1ALDH1A1MAPTMEN1KMT2A

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 1257/4885ALDH1A1 1/4885MAPT 4083/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 DCTPP1 1257/4885ALDH1A1 1/4885MAPT 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.