SCHEMBL95625

SCHEMBL95625

O=[C]OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PNMT P11086 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
MAOB P27338 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 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
SCHEMBL2091499 0.83 IDO1 (0.39) IDO1MAPTMAPK1
SCHEMBL6589319 0.83 ALDH1A1 (0.40) IDO1NPC1ALDH1A1CYP2C19TSHR
SCHEMBL2091675 0.80 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL5544644 0.79 CYP3A4 (0.37) IDO1ALDH1A1
SCHEMBL5544482 0.79 IDO1 (0.36) IDO1
SCHEMBL5537923 0.79 IDO1 (0.36) IDO1
SCHEMBL1455755 0.78 MAOB (0.43) IDO1NPC1ALDH1A1TSHRMEN1
SCHEMBL8816 0.77 IDO1 (0.52) IDO1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL5547877 0.77 SCN3A (0.43)
SCHEMBL5542677 0.77 IDO1 (0.39) IDO1PTPRCPTPN1

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494700-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS Cytovia, Inc. (US) 2005-01-12 EP claimed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO claimed
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
EP-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 EP disclosed
US-4054558-A DIEBETES MELLITUS, ACROMEGALY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4011207-A Des-(Ala1, Gly2,Lys4 -Srif, Des-(Ala1, Gly2, Lys4)-D-Trp8 -Srif and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-08 US disclosed
US-4011182-A HORMONE INHIBITOR; SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-08 US disclosed
US-4000259-A DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-28 US disclosed
US-3988304-A Cyclic dodecapeptide derivatives of somatostatin and intermediates thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-26 US disclosed
US-3933784-A Des-(ser13)-srif and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-20 US 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-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 IDO1 2948/4885NPC1 2922/4885ALDH1A1 2458/4885

“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.