SCHEMBL15056166

SCHEMBL15056166

O=[N+]([O-])C=Cc1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.50
PTP4A3 O75365 1/20 0.43
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
VCP P55072 1/20 0.40
EPAS1 Q99814 1/20 0.39
RXRA P19793 1/20 0.38
CCR2 P41597 2/20 0.38
TERT O14746 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL15056165 1.00 FBP1 (0.50) FBP1PTP4A3HSP90AA1ALDH1A1MAPT
SCHEMBL28627476 0.89 FBP1 (0.49) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL28627478 0.89 FBP1 (0.49) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL1010124 0.78 NFKB1 (0.54) FBP1ALDH1A1RXRAMAOAMAOB
SCHEMBL1010123 0.78 NFKB1 (0.54) FBP1ALDH1A1RXRAMAOAMAOB
SCHEMBL18524114 0.77 FBP1 (0.53) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL20177880 0.77 FBP1 (0.53) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL28513339 0.77 ERN1 (0.55) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL18524115 0.77 FBP1 (0.53) FBP1HSP90AA1ALDH1A1MAPTALOX12
SCHEMBL30259520 0.77 FBP1 (0.53) FBP1HSP90AA1ALDH1A1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 FBP1 3335/4885PTP4A3 3770/4885HSP90AA1 2840/4885

“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.