SCHEMBL26804142

SCHEMBL26804142

O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.67
CASR P41180 4/20 0.48
FOLH1 Q04609 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL26804134 0.92 SLC6A3 (0.78) SLC6A3CASRFOLH1ALDH1A1
SCHEMBL26804140 0.86 SLC6A3 (0.72) SLC6A3CASRALDH1A1
SCHEMBL26804115 0.83 SLC6A3 (0.82) SLC6A3CASR
SCHEMBL26804129 0.83 SLC6A3 (0.71) SLC6A3FOLH1ALDH1A1
SCHEMBL26804107 0.81 SLC6A3 (0.82) SLC6A3CASRFOLH1
SCHEMBL21682973 0.81 SLC6A3 (1.00) SLC6A3CASRFOLH1
SCHEMBL21682977 0.80 SLC6A3 (1.00) SLC6A3CASRALDH1A1
SCHEMBL31471163 0.80 SLC6A3 (1.00) SLC6A3CASRALDH1A1
SCHEMBL23902831 0.80 SLC6A3 (1.00) SLC6A3CASR
SCHEMBL26804098 0.78 SLC6A3 (0.85) SLC6A3CASRFOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TEXAS TECH UNIVERSITY SYSTEM (US) 2023-11-30 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 (1 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-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TFEB, TP53, BECN1 SLC6A3 2908/4885CASR 4362/4885FOLH1 3629/4885

“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.