SCHEMBL26804140

SCHEMBL26804140

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.72
AR P10275 5/20 0.51
CYP3A4 P08684 2/20 0.51
CES2 O00748 1/20 0.51
ABCB11 O95342 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
TBXA2R P21731 1/20 0.51
AADAC P22760 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1A P35348 1/20 0.51
HTT P42858 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
SCHEMBL26804142 0.86 SLC6A3 (0.67) SLC6A3ALDH1A1CASR
SCHEMBL26804134 0.84 SLC6A3 (0.78) SLC6A3CYP3A4ALDH1A1LMNACYP1A2
SCHEMBL23902831 0.84 SLC6A3 (1.00) SLC6A3HTR6CASR
SCHEMBL26804110 0.84 SLC6A3 (0.78) SLC6A3CASR
SCHEMBL26804129 0.81 SLC6A3 (0.71) SLC6A3ALDH1A1LMNAMAPK1HTT
SCHEMBL26804098 0.78 SLC6A3 (0.85) SLC6A3CASR
SCHEMBL23902830 0.78 SLC6A3 (0.68) SLC6A3ALDH1A1HTTSMN1; SMN2CASR
SCHEMBL21682973 0.74 SLC6A3 (1.00) SLC6A3CASR
SCHEMBL26804101 0.74 SLC6A3 (0.78) SLC6A3CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL26804115 0.74 SLC6A3 (0.82) SLC6A3SMN1; SMN2CASR

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 2908/4885AR 4202/4885CYP3A4 3103/4885

“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.