SCHEMBL2433369

SCHEMBL2433369

COc1ccc(-c2c[nH]c3c(C(=O)N(C)C)ccc(C)c3c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 2/20 0.35

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
SCHEMBL2428888 0.81 HPGD (0.47) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL2430093 0.78 IDO1 (0.40) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6
SCHEMBL2431413 0.78 HRH3 (0.36) ALDH1A1GAAMEN1NPC1RAB9A
SCHEMBL2433127 0.78 CNR1 (0.35) IDO1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16938500 0.78 MEN1 (0.44) IDO1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2436087 0.77 IDO1 (0.39) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6
SCHEMBL2430483 0.76 IDO1 (0.38) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6
SCHEMBL2427485 0.75 IDO1 (0.35) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6
SCHEMBL7926771 0.75 IDO1 (0.35) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL2429147 0.74 IDO1 (0.34) IDO1SMN1; SMN2KDM4EALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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 (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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 IDO1 274/4885PRKAB2 3058/4885PRKAG1 3319/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 IDO1 274/4885PRKAB2 3058/4885PRKAG1 3319/4885

“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.