SCHEMBL324069

SCHEMBL324069

O=C(OCc1ccc(C(F)(F)F)cc1)N1C=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
P2RX4 Q99571 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
NAMPT P43490 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.37
SLC6A5 Q9Y345 2/20 0.37
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.36
ENPP2 Q13822 1/20 0.36
ATXN2 Q99700 1/20 0.36

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
SCHEMBL323429 0.88 PRKCA (0.46) MMP12MMP1ENPP2ATXN2
SCHEMBL324380 0.87 P2RX4 (0.42) MMP12MMP1P2RX4NPC1RAB9A
SCHEMBL324299 0.86 P2RX4 (0.52) P2RX4NPC1RAB9AL3MBTL1
SCHEMBL324346 0.85 P2RX4 (0.47) MMP12MMP1P2RX4NPC1RAB9A
SCHEMBL324120 0.84 P2RX4 (0.46) MMP12MMP1P2RX4NPC1RAB9A
SCHEMBL324667 0.82 P2RX4 (0.48) MMP1P2RX4NPC1RAB9A
SCHEMBL324885 0.81 IDO1 (0.40)
SCHEMBL323355 0.79 HCAR2 (0.43) MMP12MMP1P2RX4NAMPTRAB9A
SCHEMBL325711 0.79 P2RX4 (0.39) P2RX4NPC1RAB9AL3MBTL1
SCHEMBL323819 0.78 MMP1 (0.39) MMP12MMP1P2RX4NPC1RAB9A

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
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MMP12 2464/4885MMP1 3638/4885P2RX4 88/4885

“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.