SCHEMBL26804129

SCHEMBL26804129

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.71
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CCR3 P51677 1/20 0.54
FOLH1 Q04609 1/20 0.53
KMT2A Q03164 5/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 3/20 0.49
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 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
SCHEMBL21682973 0.83 SLC6A3 (1.00) SLC6A3MAPTFOLH1KMT2APOLB
SCHEMBL26804101 0.83 SLC6A3 (0.78) SLC6A3FOLH1KMT2AALDH1A1
SCHEMBL26804142 0.83 SLC6A3 (0.67) SLC6A3FOLH1ALDH1A1
SCHEMBL26804134 0.83 SLC6A3 (0.78) SLC6A3MAPTLMNAFOLH1KMT2A
SCHEMBL26804140 0.81 SLC6A3 (0.72) SLC6A3MAPK1LMNASMN1; SMN2HTT
SCHEMBL2431422 0.81 CASR (0.69) MAPTKMT2AHTTPOLBMEN1
SCHEMBL4637913 0.78 CNR1 (0.77) MAPTMAPK1LMNASMN1; SMN2CCR3
SCHEMBL27182963 0.76 HTT (0.63) MAPTMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL27929224 0.76 HTT (0.66) MAPTMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL26804115 0.76 SLC6A3 (0.82) SLC6A3MAPTSMN1; SMN2KMT2AMEN1

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 2908/4885MAPT 416/4885MAPK1 1827/4885

“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.