SCHEMBL23928680

SCHEMBL23928680

O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 17/20 0.60
MAPT P10636 17/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL23928552 0.87 LMNA (0.69) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL22095278 0.85 LMNA (0.67) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23928684 0.85 LMNA (0.63) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23928561 0.85 NPSR1 (0.63) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23928691 0.84 NPSR1 (0.60) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL22095364 0.80 NPSR1 (0.62) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2463380 0.79 DCTPP1 (0.67) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL12684718 0.78 ALDH1A1 (0.82) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23928633 0.78 NPSR1 (0.62) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2388569 0.77 MAPT (0.80) NPSR1LMNAALDH1A1MAPTSMN1; SMN2

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.