SCHEMBL23902829

SCHEMBL23902829

O=C(NCCCCN(c1ccc(F)cc1)c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 1.00
KDR P35968 1/20 0.55
CASR P41180 1/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR1D P28221 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48

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
SCHEMBL26804102 0.85 SLC6A3 (0.74) SLC6A3SMN1; SMN2
SCHEMBL23902831 0.81 SLC6A3 (1.00) SLC6A3KDRCASRCA1CA2
SCHEMBL17275155 0.79 SLC6A3 (0.67) SLC6A3KDRCASRCA1CA2
SCHEMBL15741894 0.78 SLC6A3 (0.69) SLC6A3KDRCASRCA1CA2
SCHEMBL16884950 0.78 KDR (0.85) SLC6A3KDRCA1CA2CA7
SCHEMBL17286176 0.74 SLC6A3 (0.64) SLC6A3KDRCASRCA1CA2
SCHEMBL17286174 0.74 SLC6A3 (0.63) SLC6A3KDRCASRCA1CA2
SCHEMBL118026 0.74 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.74 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL26804098 0.73 SLC6A3 (0.85) SLC6A3KDRCASR

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 3 patents. 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
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TEXAS TECH UNIVERSITY SYSTEM (US) 2023-11-30 US disclosed
US-20210309607-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TEXAS TECH UNIVERSITY SYSTEM (US) 2021-10-07 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-20210309607-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING BREAST CANCER TP53, ULK1, TFEB SLC6A3 1928/4885KDR 865/4885CASR 4381/4885
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TFEB, TP53, BECN1 SLC6A3 2908/4885KDR 768/4885CASR 4362/4885

“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.