SCHEMBL11166158

SCHEMBL11166158

[CH2]c1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 4/20 0.54
GPR35 Q9HC97 2/20 0.48
KCNMA1 Q12791 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
S100A4 P26447 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 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
SCHEMBL83317 0.84 TDP1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL27416975 0.79 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL700469 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28313474 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29538967 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6051840 0.78 TSHR (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
O-Xylene SCHEMBL27374726 0.78 HSD17B10 (0.82) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL26788 0.78 HSD17B10 (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29859415 0.78 HSD17B10 (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6493644 0.78 TSHR (0.62) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
CN-103442698-B Controlled release oral dosage form of insoluble drug and application thereof 细胞基因公司 2016-10-05 CN disclosed
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO disclosed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed
CN-103635188-A Methods and compositions using PDE4 inhibitors for the treatment and management of autoimmune and inflammatory diseases CELGENE CORP 2014-03-12 CN disclosed
CN-103442698-A Controlled release oral dosage forms of poorly soluble drugs and uses thereof CELGENE CORP 2013-12-11 CN disclosed
CN-103391770-A Oral dosage forms of cyclopropanecarboxylic acid {2-[(1s)-1-(3-ethoxy-4-methoxy-phenyl]-2-methanesulfonyl-ethyl]-3-oxo-2,3-dihydro-1h-isoindol-4-yl}-amide CELGENE CORP 2013-11-13 CN disclosed
EP-0021338-B1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-12 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 (5 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR TSHR 4125/4885SMN1; SMN2 4148/4885HSD17B10 417/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS TSHR 3681/4885SMN1; SMN2 4670/4885HSD17B10 4273/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C TSHR 4223/4885SMN1; SMN2 4848/4885HSD17B10 2658/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR TSHR 4125/4885SMN1; SMN2 4148/4885HSD17B10 417/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR TSHR 3211/4885SMN1; SMN2 4032/4885HSD17B10 2355/4885

“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.