SCHEMBL323429

SCHEMBL323429

O=C(OCc1cccc(C(F)(F)F)c1)N1C=Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
MMP1 P03956 1/20 0.44
MMP12 P39900 1/20 0.44
NR4A2 P43354 2/20 0.43
IDO1 P14902 2/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
MAOB P27338 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PRKX P51817 1/20 0.41
IKBKE Q14164 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
ACP3 P15309 1/20 0.40
PDGFRA P16234 1/20 0.39

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
SCHEMBL324069 0.88 MMP12 (0.40) MMP1MMP12ENPP2ATXN2
SCHEMBL323355 0.85 HCAR2 (0.43) MMP1MMP12NR4A2MAOB
SCHEMBL324299 0.84 P2RX4 (0.52) MEN1KMT2A
SCHEMBL324589 0.83 GRIN2B (0.41) MMP12IDO1MAOBMEN1KMT2A
SCHEMBL325206 0.83 HCAR2 (0.43) MMP1MMP12NR4A2IDO1ENPP2
SCHEMBL323321 0.81 NPC1 (0.47) MMP1MMP12IDO1MAOBMRGPRX4
SCHEMBL324049 0.80 FFAR1 (0.40) MAOBMRGPRX4
SCHEMBL324380 0.79 P2RX4 (0.42) MMP1MMP12MEN1KMT2A
SCHEMBL324885 0.79 IDO1 (0.40) IDO1MAOBMEN1KMT2A
SCHEMBL324346 0.78 P2RX4 (0.47) MMP1MMP12MAOBMEN1KMT2A

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 PRKCA 1105/4885PRKCD 505/4885MMP1 3638/4885

“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.