SCHEMBL543367

SCHEMBL543367

COC(=O)c1cccc([N+](=O)[O-])c1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
PKM P14618 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSD P07339 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL10831867 0.89 HPGD (0.55) ALDH1A1L3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL9087640 0.85 TSHR (0.51) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9086771 0.84 ALDH1A1 (0.47) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL9087431 0.83 PKM (0.46) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL1548540 0.83 POLB (0.56) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL9833207 0.81 HPGD (0.53) ALDH1A1L3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL8822600 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL15689324 0.80 CACNA1C (0.52) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL543449 0.79 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1MAPTMAPK1
SCHEMBL8832101 0.79 KDM4E (0.58) ALDH1A1PKML3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
CN-1051305-C Acylated aminophenyl urea compounds, their preparation and their use as herbicides and plant-growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2000-04-12 CN disclosed
US-5658854-A Acylated aminophenylsulfonylureas; preparation and use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1997-08-19 US disclosed
CN-1033354-C Compositions of 7-substituted-benzo-1,2,3-thiadiazole derivetes CIBA GEIGY AG (CH) 1996-11-27 CN disclosed
CN-1033299-C Method for immured plant from disease CIBA GEIGY AG (CH) 1996-11-20 CN disclosed
US-5523311-A CARBONYLOXY OR THIOCARBONYL-BENZO-1,2,3-THIADIAZOLE DERIVATIVES USED AS CHEMICAL ACTIVATOR TO STIMULATE PLANTS CAPACITY TO DEFEND ITSELF AGAINST MICROBIAL INFECTIONS CIBA-GEIGY CORPORATION (US) 1996-06-04 US disclosed
US-5190928-A Benzo-1,2,3-thiadiazoles CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
CN-1068932-A Make plant have the method for immunity to disease CIBA GEIGY AG (CH) 1993-02-17 CN disclosed
CN-1068471-A Compositions of 7-substituted benzo-1, 2, 3-thiadiazole derivatives CIBA GEIGY AG (CH) 1993-02-03 CN disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH ALDH1A1 1431/4885PKM 3083/4885L3MBTL1 3605/4885

“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.