SCHEMBL324646

SCHEMBL324646

O=C(OCc1c(Cl)cccc1Cl)N1C=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC3 O15379 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
AKR1B1 P15121 1/20 0.36
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34
P2RX4 Q99571 1/20 0.34

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 0.93 KMT2A (0.44) ALDH1A1MEN1KMT2ATDP1ALOX15
SCHEMBL324263 0.88 L3MBTL1 (0.40) HSD17B3ALDH1A1HDAC3MAPTP2RX4
SCHEMBL323083 0.87 IDO1 (0.38) HSD17B3ALDH1A1KDM4EHDAC3TDP1
SCHEMBL323819 0.86 MMP1 (0.39) ALDH1A1KDM4EHDAC3MEN1KMT2A
SCHEMBL324429 0.85 HDAC3 (0.36) HSD17B3ALDH1A1KDM4EHDAC3MEN1
SCHEMBL323741 0.83 GABRA1 (0.36) ALDH1A1HDAC3MEN1KMT2AMAPT
SCHEMBL324120 0.82 P2RX4 (0.46) HSD17B3ALDH1A1PRMT5WDR77MEN1
SCHEMBL325206 0.82 HCAR2 (0.43) HSD17B3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL324299 0.82 P2RX4 (0.52) ALDH1A1MEN1KMT2ATDP1P2RX4
SCHEMBL323930 0.81 HSD17B3 (0.46) HSD17B3PRMT5WDR77HDAC3MEN1

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 HSD17B3 967/4885ALDH1A1 2057/4885KDM4E 3620/4885

“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.