SCHEMBL1898719

SCHEMBL1898719

O=C1Nc2ccccc2C1=NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.62
IDO1 P14902 3/20 0.62
AGTR1 P30556 3/20 0.56
KMT2A Q03164 3/20 0.56
GALR3 O60755 2/20 0.56
POLB P06746 1/20 0.56
TDO2 P48775 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
PDGFRA P16234 1/20 0.55
FER P16591 1/20 0.55
LTK P29376 1/20 0.55
CDK8 P49336 1/20 0.55
ACVR1 Q04771 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GUSB P08236 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL1898716 1.00 LRRK2 (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL16760895 1.00 LRRK2 (0.62) LRRK2IDO1AGTR1KMT2AGALR3
Hydrochloric Acid SCHEMBL11498808 0.98 LRRK2 (0.61) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7051809 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874278 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7051810 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7050065 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL7050064 0.89 MAOA (0.62) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874034 0.87 MAOA (0.60) LRRK2IDO1AGTR1KMT2AGALR3
SCHEMBL8874032 0.87 MAOA (0.60) LRRK2IDO1AGTR1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432043-B 2,3- indole dione -3-N- alkenyl nitrone derivatives and its synthetic method and application 广西师范大学 2019-02-19 CN claimed
CN-101816649-A Preparation method of 2,3-indolediketone-3-oxime and application in prevention and control of cancer UNIV BEIJING 2010-09-01 CN claimed
CN-101243793-B Acetolactate synthetase AHAS restrainer combination UNIV NANKAI 2010-08-11 CN claimed
US-7632948-B2 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2009-12-15 US claimed
CN-101585785-A Preparation method of o-aminobenzonitrile compounds BEIJING YOURONGJIANYE TECHNOLO (CN) 2009-11-25 CN claimed
CN-101243793-A Acetolactate synthetase AHAS restrainer combination UNIV NANKAI (CN) 2008-08-20 CN claimed
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 EP claimed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 US claimed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 US claimed
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 WO claimed
WO-2004018466-A2 A METHOD OF PREPARING ENANTIOMERS OF INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 2004-03-04 WO claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
CN-1222512-A Improved amino acridine preparing process UNIV BEIJING SCIENCE & TECH (CN) 1999-07-14 CN claimed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP claimed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US claimed
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 US claimed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP 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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 LRRK2 1548/4885IDO1 518/4885AGTR1 269/4885
US-20060230548-A1 Reductive colorant for keratin fibres KRT18, COX6C, CYC1 LRRK2 3974/4885IDO1 2185/4885AGTR1 3322/4885

“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.