SCHEMBL144846

SCHEMBL144846

O=COCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
KMT2A Q03164 1/20 0.53
MAOB P27338 8/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
KIF11 P52732 1/20 0.41
PTPN1 P18031 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
SCHEMBL5540230 0.85 IDO1 (0.40) IDO1KMT2AMAOBPTPN1
SCHEMBL11315865 0.83 IDO1 (0.36) IDO1KMT2AMAOBPTPN1
SCHEMBL11392894 0.82 CA2 (0.39) IDO1KMT2AMAOBMAOA
SCHEMBL28032888 0.82 KMT2A (0.46) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL2095616 0.81 TAAR1 (0.50) IDO1KMT2AMAOBTAAR1
SCHEMBL145681 0.80 IDO1 (0.57) IDO1
SCHEMBL3365906 0.80 TP53 (0.50) KMT2A
SCHEMBL1771603 0.80 IDO1 (0.57) IDO1KMT2AMAOBTAAR1
SCHEMBL351100 0.78 IDO1 (0.62) IDO1MAOBTAAR1MMP12MMP1
SCHEMBL2096840 0.78 TAAR1 (0.47) IDO1KMT2AMAOBTAAR1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
CN-115232117-B Substituted isoxazole pyrimidine amine compound, preparation method and application thereof 沈阳中化农药化工研发有限公司 2024-07-16 CN disclosed
CN-107778298-B Pyrimidine-containing substituted azole compound and application thereof 沈阳中化农药化工研发有限公司 2023-10-31 CN disclosed
CN-111004218-B Pyrimidine compound containing piperidine and application thereof 沈阳中化农药化工研发有限公司 2023-10-13 CN disclosed
CN-110964037-B Pyrimidine-fused ring-containing compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2023-03-28 CN disclosed
EP-3760617-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-03-22 EP disclosed
CN-113512029-B Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2023-01-24 CN disclosed
WO-1992006998-A1 CYCLOPEPTIDES, A METHOD OF PREPARING THEM, AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1992-04-30 WO disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
CN-1039242-A The preparation method of novel thiadiazine and the sterilant and the miticide that contain this type of thiadiazine MITSUI TOATSU CHEMICALS (JP) 1990-01-31 CN disclosed
CN-86102877-A The method for preparing bicyclic pyrazolidinones 1986-10-29 CN disclosed
US-4500709-A INTERMEDIATES IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-19 US disclosed
US-4371531-A OXIME-SUBSTITUTED ANTIBIOTICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-02-01 US disclosed
US-4242510-A Cephalosporin compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885KMT2A 4267/4885MAOB 2140/4885

“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.