SCHEMBL1600934

SCHEMBL1600934

O=CNC1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
BCHE P06276 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR6 P50406 1/20 0.50
SLC18A3 Q16572 1/20 0.47
KDM1A O60341 1/20 0.47
FADS1 O60427 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
P2RX7 Q99572 1/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.43

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
SCHEMBL598847 1.00 PDPK1 (0.59) PDPK1CA1CA2MAOAMAOB
SCHEMBL2461645 1.00 PDPK1 (0.59) PDPK1CA1CA2MAOAMAOB
SCHEMBL3532080 0.89 HTT (0.55) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL3532081 0.89 HTT (0.55) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL6001031 0.89 HTT (0.55) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL24106055 0.88 EPHX1 (0.51) PDPK1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL7152540 0.84 HTT (0.69) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL7152538 0.84 HTT (0.69) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL20472933 0.79 PDPK1 (0.61) PDPK1CA1CA2MAOAMAOB
SCHEMBL20472934 0.79 PDPK1 (0.61) PDPK1CA1CA2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN claimed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN claimed
CN-106795115-A Difluoromethyl nicotine indanyl formamide 拜耳作物科学股份公司 2017-05-31 CN claimed
JP-4782252-B2 2011-09-28 JP claimed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US claimed
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP claimed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 WO claimed
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP claimed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed
EP-0280275-B1 N-INDANYL CARBOXAMIDE DERIVATIVE AND AGRICULTURAL/HORTICULTURAL FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1992-04-29 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 (1 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 PDPK1 16/4885CA1 3113/4885CA2 2175/4885

“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.