SCHEMBL1306994

SCHEMBL1306994

[CH2]c1ccc2ccsc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
DYRK1A Q13627 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
PTPRC P08575 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30

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
SCHEMBL317858 0.81 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL911044 0.76 ESR1 (0.44) CYP2A6MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL29766115 0.76 ESR1 (0.44) CYP2A6MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL13742552 0.75 DYRK1A (0.48) CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4
SCHEMBL164774 0.73 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL422225 0.71 CYP2A6 (0.48) CYP2A6SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL2009270 0.71 CYP2A6 (0.36) CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4
SCHEMBL405354 0.71 CYP2A6 (0.41) CYP2A6DYRK1AMRGPRX4SIGMAR1
SCHEMBL276241 0.71 CYP2A6 (0.41) CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4
SCHEMBL18725843 0.71 CYP2A6 (0.36) CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
CN-101679382-A 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG 2010-03-24 CN claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO 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
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-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
CN-1366523-A Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2002-08-28 CN disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 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 CYP2A6 537/4885DYRK1A 580/4885MRGPRX4 3642/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 CYP2A6 2778/4885DYRK1A 158/4885MRGPRX4 1722/4885
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 CYP2A6 1724/4885DYRK1A 1554/4885MRGPRX4 1102/4885
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC CYP2A6 28/4885DYRK1A 4356/4885MRGPRX4 2446/4885
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 CYP2A6 2606/4885DYRK1A 1701/4885MRGPRX4 4294/4885

“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.