SCHEMBL23928579

SCHEMBL23928579

COc1ccsc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
ALDH1A1 P00352 17/20 0.58
MAPT P10636 15/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
CYP2C9 P11712 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
SCHEMBL22095316 0.90 MAPT (0.58) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23928664 0.85 NPSR1 (0.62) LMNANPSR1ALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL22095508 0.84 LMNA (0.61) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23928624 0.83 LMNA (0.74) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL2463380 0.79 DCTPP1 (0.67) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL12684718 0.77 ALDH1A1 (0.82) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23928501 0.77 NPSR1 (0.74) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23928633 0.77 NPSR1 (0.62) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23928517 0.76 LMNA (0.70) LMNANPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL2388569 0.76 MAPT (0.80) LMNANPSR1ALDH1A1MAPTL3MBTL1

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