SCHEMBL324065

SCHEMBL324065

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.44
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL324646 0.93 HSD17B3 (0.38) KMT2AMEN1ATMTDP1MAPT
SCHEMBL323819 0.92 MMP1 (0.39) KMT2AMEN1ATMTDP1MAPT
SCHEMBL324263 0.83 L3MBTL1 (0.40) MAPTALDH1A1L3MBTL1
SCHEMBL323083 0.83 IDO1 (0.38) TDP1MAPTALDH1A1L3MBTL1
SCHEMBL323574 0.82 GRIN2B (0.41) KMT2AMEN1ATMMAPTALDH1A1
SCHEMBL324997 0.81 F13A1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL324429 0.81 HDAC3 (0.36) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL323904 0.80 ALDH1A1 (0.37) TDP1ALDH1A1ALOX15SMN1; SMN2L3MBTL1
SCHEMBL324441 0.80 HSD17B3 (0.43) TDP1
SCHEMBL323741 0.79 GABRA1 (0.36) KMT2AMEN1MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
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 KMT2A 4417/4885MEN1 3717/4885ATM 4504/4885

“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.