SCHEMBL583389

SCHEMBL583389

[CH]=Cc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.62
RELA Q04206 1/20 0.60
NFE2L2 Q16236 4/20 0.56
CYP19A1 P11511 1/20 0.55
NQO2 P16083 1/20 0.55
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53

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
SCHEMBL700056 0.82 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL700055 0.82 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL23158820 0.82 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL2099510 0.82 CHRM5 (0.67) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL31317665 0.82 RELA (0.84) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL97058 0.80 CHRM5 (0.64) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL1483075 0.79 ABL1 (0.53) CHRM5RELACYP1A1CYP1A2CYP1B1
SCHEMBL6615780 0.78 CHRM5 (0.62) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL7684603 0.78 NPC1 (0.65) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL23188 0.78 NPC1 (0.65) CHRM5RELANFE2L2CYP19A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
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 claimed
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 claimed
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 claimed
US-8350033-B2 4-((3, 5, 6-trimethylpyrazine-2-yl) methoxyl) benzoic acid and its derivatives ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2013-01-08 US claimed
EP-2213666-B1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION LI JIAMING (CN) 2012-02-15 EP claimed
US-20100228029-A1 Ligustrazine aromatic acid ether derivative, its preparation method, pharmaceutical composition, and application ANHUI UNIVERSITY OF CHINESE MEDICINE (CN) 2010-09-09 US claimed
EP-2213666-A1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION Li, Jiaming (CN) 2010-08-04 EP claimed
JP-2006518738-A 2006-08-17 JP claimed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN claimed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP claimed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO claimed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US claimed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO claimed
US-6177443-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2001-01-23 US claimed
US-6090797-A ADJUSTMENT OF GLUCOSE METABOLISM; HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2000-07-18 US claimed
WO-2000014090-A1 4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE DERIVATIVES NOVO NORDISK A/S (DK) 2000-03-16 WO claimed
EP-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 EP claimed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 WO claimed

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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CHRM5 4087/4885RELA 3971/4885NFE2L2 2112/4885
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR CHRM5 3909/4885RELA 1484/4885NFE2L2 233/4885
US-20100228029-A1 Ligustrazine aromatic acid ether derivative, its preparation method, pharmaceutical composition, and application AHR, CYP3A5, CYP3A43 CHRM5 1018/4885RELA 1505/4885NFE2L2 452/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR CHRM5 3909/4885RELA 1484/4885NFE2L2 233/4885

“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.