SCHEMBL637115

SCHEMBL637115

[CH]=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
PTGS1 P23219 2/20 0.47
AHR P35869 1/20 0.47
NQO2 P16083 2/20 0.45
FBP1 P09467 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 3/20 0.42
PIM1 P11309 1/20 0.41

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
SCHEMBL22931544 0.78 AHR (0.68) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL13790263 0.78 AHR (0.68) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL2096662 0.78 CYP1A2 (0.52) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL13790273 0.78 AHR (0.68) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL63468 0.76 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL2363317 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL29507308 0.76 AHR (0.65) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL27665898 0.76 FBP1 (0.52) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL5535278 0.76 CYP1A2 (0.50) CYP1A2PTGS1AHRNQO2FBP1
SCHEMBL543031 0.76 CYP1A2 (0.56) CYP1A2PTGS1AHRNQO2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831272-B Method for synthesizing 2-substituted indole compound by palladium-catalyzed iodobenzene and oxime ester 华南理工大学 2023-07-18 CN claimed
CN-114230727-A Shrinkage-reducing ether polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2022-03-25 CN claimed
CN-114213598-A Shrinkage-reducing type ester polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2022-03-22 CN claimed
CN-113831272-A Method for synthesizing 2-substituted indole compound by using palladium to catalyze iodobenzene and oxime ester 华南理工大学 2021-12-24 CN claimed
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
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN 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
CN-105001222-A New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation BOEHRINGER INGELHEIM PHARMA 2015-10-28 CN claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US 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
EP-0793674-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1997-09-10 EP claimed
US-5618792-A USEFUL FOR TREATING ACUTE RESPIRATORY DISEASES, AND MYOCARDIAL ISHCEMIA-REPERFUSION INJURY CORTECH, INC. (US) 1997-04-08 US claimed
WO-1996016080-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1996-05-30 WO claimed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP claimed
EP-0122693-B1 ANTIFUNGAL DI(AZOLYL)PROPANOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-08 EP claimed
US-4625036-A Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-25 US claimed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP claimed
EP-0122693-A1 Antifungal di(azolyl)propanol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-24 EP 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 (3 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 CYP1A2 606/4885PTGS1 1167/4885AHR 904/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP1A2 364/4885PTGS1 1794/4885AHR 1299/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR CYP1A2 606/4885PTGS1 1167/4885AHR 904/4885

“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.