SCHEMBL146535

SCHEMBL146535

FC(F)(F)c1ccc2s[c]nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SCN4A P35499 1/20 0.41
PKM P14618 1/20 0.41
DYRK1A Q13627 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ILK Q13418 2/20 0.38
PTPN5 P54829 1/20 0.36
BACE1 P56817 1/20 0.36
PARP1 P09874 1/20 0.36
G6PD P11413 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PPARA Q07869 1/20 0.35
ALOX5 P09917 1/20 0.34
NPBWR1 P48145 1/20 0.34
AKR1B1 P15121 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL212072 0.85 EPHX2 (0.49) EPHX2SCN4APKMDYRK1AKDM4E
SCHEMBL10358874 0.81 SCN10A (0.36) PKMMEN1KMT2AKCNH2
SCHEMBL18154124 0.74 NPC1 (0.45) SCN4APKMDYRK1AMEN1KMT2A
SCHEMBL209055 0.71 SMN1; SMN2 (0.41) DYRK1AKDM4EPPARAMEN1KMT2A
SCHEMBL207013 0.71 DYRK1A (0.36) DYRK1ABACE1PPARA
SCHEMBL9417648 0.71 PTPN11 (0.42) PKMDYRK1AKDM4ETLR9MEN1
SCHEMBL10422110 0.69 AKR1B1 (0.34) PKMAKR1B1
SCHEMBL11612750 0.68 TP53 (0.56) EPHX2SCN4APKMDYRK1AKDM4E
SCHEMBL1538312 0.68 NPC1 (0.47) EPHX2SCN4APKMDYRK1AKDM4E
SCHEMBL30375905 0.68 NPC1 (0.47) EPHX2SCN4APKMDYRK1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP claimed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US claimed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US claimed
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
EP-0401981-B1 Pyridazinone deriratives PFIZER (US) 1995-04-26 EP claimed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP claimed
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US claimed
EP-0401981-A1 Pyridazinone deriratives PFIZER INC. (US) 1990-12-12 EP claimed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 US claimed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP claimed
US-4622178-A CEPHALOSPORIN INTERMEDIATES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-11-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S EPHX2 386/4885SCN4A 1973/4885PKM 4808/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA EPHX2 589/4885SCN4A 2928/4885PKM 3734/4885

“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.