SCHEMBL6577902

SCHEMBL6577902

Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.75
HSD17B10 Q99714 1/20 0.75
MAPT P10636 7/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 2/20 0.54
PKM P14618 2/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGES O14684 1/20 0.51
LMNA P02545 4/20 0.50
BCHE P06276 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 3/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3328543 0.89 MAPT (0.79) ACHEHSD17B10MAPTKMT2AMEN1
SCHEMBL4163474 0.89 MAPT (0.79) ACHEHSD17B10MAPTKMT2AMEN1
SCHEMBL5026213 0.88 ACHE (0.75) ACHEHSD17B10MAPTKMT2AMEN1
SCHEMBL8531165 0.88 ACHE (0.75) ACHEHSD17B10MAPTKMT2AMEN1
SCHEMBL8934655 0.87 MAPT (0.76) ACHEHSD17B10MAPTKMT2AMEN1
Fluoride SCHEMBL29135589 0.87 MAPT (0.76) ACHEHSD17B10MAPTKMT2AMEN1
SCHEMBL8934649 0.87 MAPT (0.76) ACHEHSD17B10MAPTKMT2AMEN1
4-Nitrotoluene SCHEMBL5047811 0.87 ACHE (0.90) ACHEHSD17B10KMT2AMEN1ALDH1A1
4-Nitrotoluene SCHEMBL2484690 0.87 ACHE (1.00) ACHEHSD17B10MAPTKMT2AALDH1A1
4-Nitrotoluene SCHEMBL73252 0.87 ACHE (1.00) ACHEHSD17B10MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079831-B2 Process for the preparation of sulfonamide compounds DIPHARMA FRANCIS S.R.L. (IT) 2015-07-14 US disclosed
WO-2014096732-A1 METAL NANO-CATALYSTS IN GLYCEROL AND APPLICATIONS IN ORGANIC SYNTHESIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-06-26 WO disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-0882717-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003011284-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2003-02-13 WO disclosed
US-5382686-A Process for preparing nitrodiphenyl (thio) ethers BAYER AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
EP-0231888-B1 SUBSTITUTED 2,4-DIAMINO-5-BENZYL PYRIMIDINES, THEIR PREPARATION AND THEIR USE AS MEDICINES HAVING AN ANTIMICROBIAN ACTIVITY Fatol Arzneimittel GmbH (DE) 1992-12-30 EP disclosed
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP disclosed
EP-0304725-A1 Process for the preparation of nitro-diphenyl(thio) ethers BAYER AG (DE) 1989-03-01 EP disclosed
EP-0231888-A2 Substituted 2,4-diamino-5-benzyl pyrimidines, their preparation and their use as medicines having an antimicrobian activity Fatol Arzneimittel GmbH (DE) 1987-08-12 EP disclosed
US-4277398-A ORANGE-COLORED, COUNTERACTING UNWANTED ABSORPTION OF MAGENTA DYES IN COLOR PHOTOGRAPHY CIBA-GEIGY AG (CH) 1981-07-07 US disclosed
US-4275077-A Insecticidal acyl urea derivatives CELAMERCK GMBH & CO. KG (DE) 1981-06-23 US disclosed
US-4198407-A Substituted 2-phenyl-1,2,4-triazine-3,5(2H,4H)-diones, and coccidiostatic agents containing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 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 (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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ACHE 1193/4885HSD17B10 3362/4885MAPT 825/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ACHE 1193/4885HSD17B10 3362/4885MAPT 825/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 ACHE 1300/4885HSD17B10 2745/4885MAPT 618/4885
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease IDO1, HTR5A, IDO2 ACHE 758/4885HSD17B10 1312/4885MAPT 317/4885

“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.