SCHEMBL23902830

SCHEMBL23902830

O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.68
CCR3 P51677 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
CASR P41180 3/20 0.51
GRIK1 P39086 1/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL26804104 0.84 SLC6A3 (0.74) SLC6A3MEN1KMT2AMAPTHTT
SCHEMBL21675567 0.82 TP53 (0.57) CCR3MEN1KMT2AMAPTHTT
SCHEMBL26804110 0.81 SLC6A3 (0.78) SLC6A3KMT2ACASR
SCHEMBL23902831 0.81 SLC6A3 (1.00) SLC6A3CASR
SCHEMBL7814055 0.79 MEN1 (0.60) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL26804140 0.78 SLC6A3 (0.72) SLC6A3HTTCASRSMN1; SMN2ALDH1A1
SCHEMBL5759619 0.78 MEN1 (0.61) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL26804098 0.77 SLC6A3 (0.85) SLC6A3KMT2ACASR
SCHEMBL21682973 0.77 SLC6A3 (1.00) SLC6A3KMT2AMAPTRAB9ACASR
SCHEMBL26804101 0.77 SLC6A3 (0.78) SLC6A3KMT2ACASRALDH1A1

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 1928/4885CCR3 4420/4885MEN1 4167/4885
US-20230382850-A1 SUBSTITUTED BISPHENYLALKYLUREA COMPOUNDS AND METHODS OF TREATING INFLAMMATORY CONDITIONS TFEB, TP53, BECN1 SLC6A3 2908/4885CCR3 3646/4885MEN1 4503/4885

“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.