SCHEMBL324263

SCHEMBL324263

O=C(OCc1ccccc1Cl)N1C=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B3 P37058 1/20 0.38
RAB9A P51151 3/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
THRB P10828 1/20 0.37
NR4A2 P43354 2/20 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
SCHEMBL323083 0.92 IDO1 (0.38) L3MBTL1ENPP2POLBCASP3SENP8
SCHEMBL325232 0.88 HSD17B3 (0.46) HSD17B3HDAC3
SCHEMBL323930 0.88 HSD17B3 (0.46) L3MBTL1ENPP2MAPTHSD17B3NR4A2
SCHEMBL324431 0.88 ALDH1A1 (0.37) POLBMAPTALDH1A1HSD17B3HDAC3
SCHEMBL324646 0.88 HSD17B3 (0.38) MAPTALDH1A1HSD17B3P2RX4HDAC3
SCHEMBL323904 0.86 ALDH1A1 (0.37) L3MBTL1MMP1MMP2MMP9MMP12
SCHEMBL323574 0.86 GRIN2B (0.41) L3MBTL1ENPP2POLBMMP1MMP2
SCHEMBL324798 0.85 GRIN2B (0.40) POLBMAPTALDH1A1HSD17B3RAB9A
SCHEMBL322852 0.85 MMP1 (0.39) L3MBTL1POLBMMP1MMP2MMP9
SCHEMBL324441 0.83 HSD17B3 (0.43) HSD17B3HDAC3

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 L3MBTL1 4628/4885ENPP2 137/4885POLB 3630/4885

“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.