SCHEMBL6963040

SCHEMBL6963040

O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.64
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.47
NOS1 P29475 3/20 0.47
CYP1A2 P05177 2/20 0.47
BLM P54132 2/20 0.47
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47
ADRA2A P08913 1/20 0.47
THPO P40225 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
ALDH1A1 P00352 2/20 0.42
FASN P49327 1/20 0.41
CYP3A4 P08684 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL31349397 0.83 PSMB8 (0.55) KMOLMNATSHRCA12CA9
SCHEMBL1027569 0.82 NOS1 (0.49) KMOLMNATSHRNOS1CYP1A2
SCHEMBL7410133 0.81 CA12 (0.55) KMOCA12CA9FASNGRIN2D
SCHEMBL25260021 0.81 KMO (0.46) KMOLMNATSHRNOS1CYP1A2
SCHEMBL6970927 0.81 KMO (0.46) KMOLMNATSHRNOS1CYP1A2
SCHEMBL11256608 0.79 KMO (1.00) KMOLMNATSHRNOS1CYP1A2
SCHEMBL30770947 0.78 KMO (0.44) KMOLMNATSHRNOS1CYP1A2
SCHEMBL10504041 0.77 KMO (0.46) KMOLMNATSHRNOS1CYP1A2
SCHEMBL30483748 0.77 KMO (0.46) KMOLMNATSHRNOS1CYP1A2
SCHEMBL25289763 0.77 KMO (0.46) KMOLMNATSHRNOS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
EP-2785709-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
EP-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
EP-1316550-A1 6-Acylamino-5-substituted-benzoxazol-2-one compounds and method for using them EASTMAN KODAK COMPANY (US) 2003-06-04 EP disclosed
US-6515176-B1 Disclosed is a 6-acylamino-5-substituted-benzoxazol-2-one compound having the structural formula I: Also disclosed is a method for forming a cyan dye-forming coupler from the above compound. The method and intermediate with a simplified EASTMAN KODAK COMPANY 2003-02-04 US disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed
US-4438126-A Lower alkanoic acid derivatives of 2-oxo-benzoxazolines and aldose reductase inhibiting compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-20 US disclosed
US-4370340-A ANTIDIABETIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 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-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 KMO 994/4885LMNA 4361/4885TSHR 1439/4885

“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.