SCHEMBL3755926

SCHEMBL3755926

Cc1ccccc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
PTGS1 P23219 2/20 0.54
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
HTR7 P34969 1/20 0.44
AR P10275 1/20 0.43
PDK2 Q15119 1/20 0.43
MCL1 Q07820 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CNR1 P21554 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL12364953 0.85 ALOX5AP (0.49) PTGS2PTGS1ALOX5APFEN1HTR7
SCHEMBL14850869 0.82 ACHE (0.50) PTGS2PTGS1ALOX5APFEN1HTR7
SCHEMBL20898128 0.82 PTGS2 (0.58) PTGS2PTGS1PDK2BRD4CREBBP
SCHEMBL31067152 0.82 PTGS2 (0.58) PTGS2PTGS1PDK2BRD4CREBBP
SCHEMBL3750014 0.82 ALOX5AP (0.53) PTGS2ALOX5APFEN1HTR7AR
SCHEMBL3749078 0.82 AHR (0.54) HTR7MCL1NPC1RAB9A
SCHEMBL16574091 0.81 SLC1A3 (0.51) PTGS2PTGS1SLC1A3SLC1A2SLC1A1
SCHEMBL12365161 0.80 ABL1 (0.49) PTGS2PTGS1SLC1A3SLC1A2SLC1A1
SCHEMBL622451 0.79 PLA2G7 (0.44) PTGS2PTGS1HTR7ARPDK2
SCHEMBL397260 0.78 PTGS2 (0.58) PTGS2PTGS1ALOX5APFEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8003626-B2 in particular fungicidally active; use in agriculture or horticulture for controlling/preventing infestation of plants by phytopathogens; 1-methyl-3-trifluoromethyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid [2-(1,3-dimethyl-butyl)-thiophen-3-yl]-amide SYNGENTA CROP PROTECTION, INC. (US) 2011-08-23 US disclosed
US-8003626-B2 in particular fungicidally active; use in agriculture or horticulture for controlling/preventing infestation of plants by phytopathogens; 1-methyl-3-trifluoromethyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid [2-(1,3-dimethyl-butyl)-thiophen-3-yl]-amide SYNGENTA CROP PROTECTION, INC. (US) 2011-08-23 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-07 US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2007009717-A1 PYRAZOLE-4- CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 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 (4 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R PTGS2 2180/4885PTGS1 1722/4885ALOX5AP 2460/4885
US-20080188442-A1 Pyrazole-4-Carboxamide Derivatives as Microbiocides CD14, FPR1, FPR2 PTGS2 1115/4885PTGS1 819/4885ALOX5AP 1305/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 PTGS2 3155/4885PTGS1 2684/4885ALOX5AP 3422/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGS2 1379/4885PTGS1 1312/4885ALOX5AP 2673/4885

“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.