SCHEMBL1765276

SCHEMBL1765276

NCc1cc(Br)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.33
CYP2A6 P11509 1/20 0.32
DGAT1 O75907 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL31623173 0.80 LOXL2 (0.36) LOXL2CYP2A6DGAT1CCR5
SCHEMBL19250640 0.80 LOXL2 (0.36) LOXL2CYP2A6DGAT1CCR5
SCHEMBL30054448 0.79
SCHEMBL28928491 0.79
SCHEMBL23328149 0.78 CYP2A6 (0.31) CYP2A6
SCHEMBL23301641 0.78 CYP2A6 (0.31) CYP2A6
SCHEMBL12480416 0.78 CCR5 (0.36) CYP2A6CCR5
SCHEMBL671127 0.77 PTGDR2 (0.33) DGAT1
SCHEMBL31460462 0.77 GABRA1 (0.34) DGAT1
Hydrochloric Acid SCHEMBL18953222 0.77 CCR5 (0.35) CYP2A6CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
CN-102753538-A Sultam derivatives HOFFMANN LA ROCHE 2012-10-24 CN disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 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-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 LOXL2 4252/4885CYP2A6 144/4885DGAT1 1037/4885

“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.