SCHEMBL95626

SCHEMBL95626

O=COCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PNMT P11086 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL27810116 0.83 SLC6A4 (0.41) IDO1TSHR
SCHEMBL2091502 0.83 IDO1 (0.39) IDO1MAPTSIGMAR1
SCHEMBL6589323 0.83 ALDH1A1 (0.40) IDO1NPC1ALDH1A1RAB9ANPSR1
SCHEMBL2091678 0.80 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL5544646 0.79 CYP3A4 (0.37) IDO1ALDH1A1
SCHEMBL5544491 0.79 IDO1 (0.36) IDO1
SCHEMBL5537929 0.79 IDO1 (0.36) IDO1
SCHEMBL541099 0.79 IDO1 (0.47) IDO1
SCHEMBL1455758 0.78 MAOB (0.43) NPC1ALDH1A1TSHRRAB9AMEN1
SCHEMBL11392894 0.78 CA2 (0.39) IDO1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US 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
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US 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
US-4371531-A OXIME-SUBSTITUTED ANTIBIOTICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-02-01 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed
US-4242510-A Cephalosporin compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 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 (3 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-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E IDO1 477/4885NPC1 3798/4885ALDH1A1 2635/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E IDO1 477/4885NPC1 3798/4885ALDH1A1 2635/4885
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.