SCHEMBL1790306

SCHEMBL1790306

O=C(O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CASP6 P55212 1/20 0.48
DTYMK P23919 1/20 0.47
ALDH1A1 P00352 4/20 0.46
VCAM1 P19320 2/20 0.46
CYP3A4 P08684 1/20 0.46
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC25A1 P53007 1/20 0.43
KMT2A Q03164 3/20 0.43
GPR35 Q9HC97 2/20 0.43
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 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
SCHEMBL8744103 0.91 ALDH1A1 (0.50) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL7749601 0.90 ALDH1A1 (0.53) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL613001 0.90 ALDH1A1 (0.53) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL2894347 0.90 DTYMK (0.50) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL611920 0.89 ALDH1A1 (0.51) TSHRCASP6DTYMKALDH1A1VCAM1
Hydrochloric Acid SCHEMBL11773238 0.89 ALDH1A1 (0.51) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL8526398 0.87 TSHR (0.53) TSHRCASP6DTYMKALDH1A1VCAM1
SCHEMBL1787500 0.87 ALDH1A1 (0.50) TSHRDTYMKALDH1A1VCAM1CYP3A4
SCHEMBL1964055 0.85 ALDH1A1 (0.57) TSHRDTYMKALDH1A1VCAM1CYP3A4
SCHEMBL7744994 0.85 TSHR (0.44) TSHRCASP6DTYMKALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502216-B As pesticide and acaricidal indole carboxamides and benzimidazole-carboxamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-04 CN disclosed
US-9107411-B2 Indolecarboxamides and benzimidazolecarboxamides as insecticides and acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
EP-2900629-A2 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2015-08-05 EP disclosed
EP-2683688-B1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-8906344-B2 F-18 radiolabeled compounds for diagnosing and monitoring kidney function KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-12-09 US disclosed
WO-2014045306-A2 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-03-27 WO disclosed
US-20140088167-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-20140086837-A1 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-03-27 US disclosed
EP-2683688-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES Bayer Intellectual Property GmbH (DE) 2014-01-15 EP disclosed
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed
EP-1943229-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
US-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP 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 (7 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TSHR 466/4885CASP6 4663/4885DTYMK 3649/4885
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R TSHR 35/4885CASP6 4150/4885DTYMK 4708/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R TSHR 333/4885CASP6 4381/4885DTYMK 3936/4885
US-20140088167-A1 INDOLECARBOXAMIDES AND BENZIMIDAZOLECARBOXAMIDES AS INSECTICIDES AND ACARICIDES AADAC, DDT, AANAT TSHR 1345/4885CASP6 1644/4885DTYMK 3144/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R TSHR 35/4885CASP6 4150/4885DTYMK 4708/4885
US-20140086837-A1 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION SLCO1B1, SLCO1B3, SLCO2B1 TSHR 1294/4885CASP6 3474/4885DTYMK 2604/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B TSHR 85/4885CASP6 3047/4885DTYMK 2237/4885

“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.