SCHEMBL540770

SCHEMBL540770

O=C(NCl)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 4/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.59
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
LMNA P02545 1/20 0.56
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
KAT6A Q92794 2/20 0.50

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
SCHEMBL30930714 0.84 POLB (0.50) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL28471319 0.83 CES2 (0.61) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL6450415 0.82 ALDH1A1 (0.70) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL298653 0.80 GAA (0.67) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL29382881 0.80 GAA (0.67) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL2222719 0.78 GAA (0.64) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL21779849 0.78 GAA (0.64) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL255025 0.78 GAA (1.00) GAAMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL28973500 0.78 GAA (0.64) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL28190255 0.78 GAA (0.64) GAAMEN1KMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO claimed
CN-110437205-A Pyridine alkenyl piperidine derivative and application thereof GUANGDONG HEC PHARMACEUTICAL 2019-11-12 CN disclosed
CN-110366550-A Benzoisothiazole, isothiazolo [3,4-b ] pyridine, quinazoline, phthalazine, pyrido [2,3-d ] pyridazine and pyrido [2,3-d ] pyrimidine derivatives as KRAS G12C inhibitors for the treatment of lung, pancreatic or colorectal cancer 美国安进公司 2019-10-22 CN disclosed
CN-110272425-A Pyridine acyl octahydro pyrrolo- [3,4-c] azole derivatives and application thereof 广东东阳光药业有限公司 2019-09-24 CN disclosed
CN-110123820-A Arginase inhibitor and its application method 阿斯利康公司 2019-08-16 CN disclosed
CN-104857005-B Arginase inhibitor and its application method 阿斯利康公司 2019-04-26 CN disclosed
CN-109180670-A Imino group thiadiazine dioxide derivative and application thereof 广东东阳光药业有限公司 2019-01-11 CN disclosed
EP-3191112-A2 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED, S.L. (ES) 2017-07-19 EP disclosed
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed
WO-2016038040-A2 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED, S.L. (ES) 2016-03-17 WO disclosed
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 CN disclosed
CN-104487433-A Triazolone compounds as mpges-1 inhibitors GLENMARK PHARMACEUTICALS SA 2015-04-01 CN disclosed
CN-104059058-A Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC 2014-09-24 CN disclosed
CN-104054719-A Compositions And Methods For Controlling Nematodes MONSANTO TECHNOLOGY LLC 2014-09-24 CN disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 GAA 2424/4885MEN1 1121/4885KMT2A 823/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 GAA 1404/4885MEN1 4656/4885KMT2A 3024/4885
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 GAA 2538/4885MEN1 239/4885KMT2A 283/4885

“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.