SCHEMBL323819

SCHEMBL323819

O=C(OCc1c(F)cccc1F)N1C=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
AGTR2 P50052 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HDAC3 O15379 1/20 0.37
P2RX4 Q99571 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALOX15 P16050 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2B Q13224 1/20 0.32

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
SCHEMBL324065 0.92 KMT2A (0.44) ALDH1A1MEN1KMT2ATDP1ALOX15
SCHEMBL323574 0.87 GRIN2B (0.41) MMP1MMP2MMP9MMP12AGTR2
SCHEMBL324997 0.86 F13A1 (0.39) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL324646 0.86 HSD17B3 (0.38) ALDH1A1KDM4EHDAC3P2RX4MEN1
SCHEMBL324429 0.86 HDAC3 (0.36) ALDH1A1KDM4EHDAC3P2RX4MEN1
SCHEMBL323741 0.84 GABRA1 (0.36) ALDH1A1HDAC3MEN1KMT2APTGDR2
SCHEMBL324380 0.84 P2RX4 (0.42) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL323355 0.83 HCAR2 (0.43) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL324299 0.83 P2RX4 (0.52) ALDH1A1P2RX4MEN1KMT2ATDP1
SCHEMBL323497 0.81 HSD17B3 (0.37) HDAC3P2RX4MEN1KMT2A

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 MMP1 3638/4885MMP2 3105/4885MMP9 2267/4885

“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.