SCHEMBL5539552

SCHEMBL5539552

O=COCc1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
AR P10275 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2A13 Q16696 2/20 0.38
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CARM1 Q86X55 1/20 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
SCHEMBL98918 0.84 IDO1 (0.55) IDO1PNMTTAAR1
SCHEMBL28324350 0.82 IDO1 (0.53) IDO1PNMTTAAR1
SCHEMBL2092556 0.82 IDO1 (0.37) IDO1TDP1CYP3A4
SCHEMBL5544911 0.81 TAAR1 (0.52) IDO1PNMTTAAR1ARALDH1A1
SCHEMBL25883966 0.81 FFAR4 (0.45) IDO1PNMTALDH1A1KMT2AMEN1
SCHEMBL331883 0.78 SMN1; SMN2 (0.44) TAAR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9627008 0.78 SRC (0.38) IDO1PNMTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL995345 0.77 IDO1 (0.69) IDO1PNMTTAAR1ALDH1A1KDM4E
SCHEMBL547586 0.77 IDO1 (0.69) IDO1PNMTTAAR1ARALDH1A1
SCHEMBL11406620 0.77 SRC (0.40) IDO1ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-20030036514-A1 Compositions and methods for the diagnosis and treatment of psychogenic erectile dysfunction MANN MORRIS (US) 2003-02-20 US disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885PNMT 4701/4885TAAR1 364/4885
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 IDO1 764/4885PNMT 2151/4885TAAR1 348/4885

“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.