SCHEMBL5953847

SCHEMBL5953847

[CH2]c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
TSHR P16473 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
CYP3A4 P08684 4/20 0.62
ACHE P22303 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PDE1B Q01064 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL9007976 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL30683694 0.78 ALDH1A1 (0.72) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL232696 0.77 TDP1 (0.61) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL2948384 0.77 TSHR (0.69) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL85646 0.77 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4ACHE
Methylamine SCHEMBL11819150 0.77 ALDH1A1 (0.91) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL7356876 0.77 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL85170 0.75 ALDH1A1 (0.68) ALDH1A1TSHRTDP1CYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218397-A The synthetic method of 2-azido-methyl-4-nitrobenzoyl chloride UNIV JINAN 2016-01-06 CN claimed
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
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-103476776-B 2,4-diaminourea-6,7-dihydro-5H-pyrrolo-[2,3] pyrimidine derivatives as FAK/Pyk2 inhibitor 北京赛林泰医药技术有限公司 2016-09-28 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
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
CN-103804358-B One class Diarylhydantoin derivant, its preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2016-06-29 CN 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-102093364-B 2,4-diamido-6,7-dihydro-5H-pyrrolo [2,3] pyrimidine derivative as focal adhesion kinase/pyruvate kinase 2 (FAK/Pyk2) inhibitor CENTAURUS BIOPHARMA CO LTD 2015-01-28 CN disclosed
CN-103804358-A Biaryl hydantoin derivate and preparation method, medicine composition and application thereof SHANGHAI PHARMACEUTICAL GROUP CO LTD 2014-05-21 CN disclosed
US-7064139-B2 Method for treating retroviral infections UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-06-20 US disclosed
EP-0929299-A4 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2000-12-20 EP disclosed
EP-0929299-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS ELI LILLY AND COMPANY (US) 1999-07-21 EP disclosed
WO-1998008502-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA[b]BENZOFURANS ELI LILLY AND COMPANY (US) 1998-03-05 WO 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR ALDH1A1 652/4885TSHR 4125/4885TDP1 2264/4885
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 ALDH1A1 3502/4885TSHR 4223/4885TDP1 2789/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR ALDH1A1 652/4885TSHR 4125/4885TDP1 2264/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR ALDH1A1 2146/4885TSHR 3211/4885TDP1 2801/4885

“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.