SCHEMBL23928633

SCHEMBL23928633

Cc1csc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 17/20 0.60
MAPT P10636 17/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL23928561 0.84 NPSR1 (0.63) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL22095364 0.83 NPSR1 (0.62) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL2463380 0.83 DCTPP1 (0.67) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL22095278 0.81 LMNA (0.67) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL23928684 0.80 LMNA (0.63) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL23928552 0.80 LMNA (0.69) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL23928691 0.80 NPSR1 (0.60) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL12684718 0.79 ALDH1A1 (0.82) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL23928517 0.79 LMNA (0.70) NPSR1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL2388569 0.78 MAPT (0.80) NPSR1LMNAALDH1A1MAPTL3MBTL1

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 NPSR1 3150/4885LMNA 1751/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 NPSR1 3150/4885LMNA 1751/4885ALDH1A1 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.