SCHEMBL542795

SCHEMBL542795

O=C=Nc1ccc2ccc(N=C=O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 5/20 0.52
TRPA1 O75762 1/20 0.52
TSHR P16473 2/20 0.48
CYP1A2 P05177 3/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HSP90AA1 P07900 3/20 0.38
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29642672 1.00 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9229837 0.93 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL11227393 0.93 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL108863 0.92 TDP1 (0.58) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL31682271 0.89 MEN1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL407338 0.89 MEN1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL11717007 0.88 TDP1 (0.55) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL3714131 0.87 TDP1 (0.48) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL15704572 0.86 MAPK1 (0.44) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9229577 0.86 MAPK1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467653-B Flame-retardant epoxy resin composition, prepreg, insulating sheet, adhesive sheet, laminate, sealing material, casting material, and cured product 日铁化学材料株式会社 2020-05-05 CN claimed
US-10570561-B2 Sizing agent for carbon fiber, carbon fiber with improved interfacial adhesion, polymerization reaction type carbon fiber-reinforced polymer composite material using same, and production method therefor KOREA INSTITUTE OF MACHINERY & MATERIALS (KR) 2020-02-25 US claimed
US-20190284751-A1 SIZING AGENT FOR CARBON FIBER, CARBON FIBER WITH IMPROVED INTERFACIAL ADHESION, POLYMERIZATION REACTION TYPE CARBON FIBER-REINFORCED POLYMER COMPOSITE MATERIAL USING SAME, AND PRODUCTION METHOD THEREFOR KOREA INSTITUTE OF MATERIALS SCIENCE (KR) 2019-09-19 US claimed
CN-106467653-A Flame-retardant epoxy resin omposition, prepreg, insulating trip, adhesive sheet, plywood, encapsulant, cast material and solidfied material 新日铁住金化学株式会社 2017-03-01 CN claimed
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US claimed
CN-104145012-A USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE 2014-11-12 CN claimed
US-20140287974-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-25 US claimed
EP-2771446-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-03 EP claimed
CN-102417740-B Surface modification method for reinforcing interface compatibility of plant fibre/polymer based composite through two steps UNIV FUJIAN 2013-06-05 CN claimed
WO-2013060706-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2013-05-02 WO claimed
CN-1233708-C Polymer cladding layer material of isocyarate crosslinked epoxy resin for integrated optical device UNIV TSINGHUA (CN) 2005-12-28 CN claimed
CN-1488660-A Second-order non-linear optical polymer of isocyanate crosslinked epoxy resin 清华大学 2004-04-14 CN claimed
CN-1488663-A Polymer cladding layer material of isocyarate crosslinked epoxy resin for integrated optical device 清华大学 2004-04-14 CN claimed
US-6403753-B1 REACTING FURAN COMPOUND HAVING ALCOHOL FUNCTIONALITY WITH BIS(MALEIMIDE) COMPOUND TO FORM POLYOL, REACTING POLYOL WITH DIISOCYANATE TO FORM MIXTURE, HEATING TO FORM GEL, COOLING TO SOLID THAT SUBSEQUENT HEATING IN SOLVENT WILL DEPOLYMERIZE SANDIA CORPORATION 2002-06-11 US claimed
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US claimed
US-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0694532-A1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA-GEIGY AG (CH) 1996-01-31 EP claimed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
US-5200493-A Polyurethanes and polythiourethanes; protective coatings; oil repellents; waterproofing; antisoilants CIBA-GEIGY CORPORATION (US) 1993-04-06 US 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 (2 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-10570561-B2 Sizing agent for carbon fiber, carbon fiber with improved interfacial adhesion, polymerization reaction type carbon fiber-reinforced polymer composite material using same, and production method therefor NOTUM, MACF1, FAR1 TDP1 3316/4885MAPK1 2074/4885CYP3A4 796/4885
US-20190284751-A1 SIZING AGENT FOR CARBON FIBER, CARBON FIBER WITH IMPROVED INTERFACIAL ADHESION, POLYMERIZATION REACTION TYPE CARBON FIBER-REINFORCED POLYMER COMPOSITE MATERIAL USING SAME, AND PRODUCTION METHOD THEREFOR NOTUM, MACF1, FAR1 TDP1 3316/4885MAPK1 2074/4885CYP3A4 796/4885

“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.