SCHEMBL108863

SCHEMBL108863

O=C=Nc1ccc2cc(N=C=O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP3A4 P08684 5/20 0.54
TRPA1 O75762 1/20 0.54
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HSP90AA1 P07900 3/20 0.39
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL11227393 0.95 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9229837 0.95 TDP1 (0.54) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL542795 0.92 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL29642672 0.92 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL407338 0.91 MEN1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL31682271 0.91 MEN1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL3714131 0.89 TDP1 (0.48) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL9229577 0.88 MAPK1 (0.52) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL7159782 0.86 MAPK1 (0.50) TDP1MAPK1CYP3A4TRPA1TSHR
SCHEMBL11718768 0.84 CYP3A4 (0.46) 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 1206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115678395-B High-toughness high-strength polyurea nano-coating 上海涓微新材料科技有限公司 2023-09-26 CN claimed
CN-115678395-A High-toughness and high-strength polyurea nano coating 上海涓微新材料科技有限公司 2023-02-03 CN claimed
CN-109137509-B High-strength continuous long plant fiber reinforced polyolefin composite material and preparation method thereof 会通新材料股份有限公司 2021-02-12 CN claimed
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-109137509-A A kind of high-intensitive continuous long plant fiber enhancing composite polyolefine material and preparation method thereof 会通新材料股份有限公司 2019-01-04 CN claimed
CN-109148790-A A kind of porous septum, preparation method and lithium battery 微宏动力系统(湖州)有限公司 2019-01-04 CN claimed
US-10040892-B2 Polyurethane elastic yarn and production method thereof INVISTA NORTH AMERICA S.A R.L. (US) 2018-08-07 US claimed
EP-2757115-B1 METHOD FOR PRODUCING URETHANE OPTICAL MEMBER HOYA CORP (JP) 2018-01-24 EP claimed
EP-1423448-A4 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS ALZO INT INC (US) 2005-06-29 EP claimed
US-20040234562-A1 Polymeric urethane ester quats and their use in personal care compositions ALZO INTTERNATIONAL, INC. 2004-11-25 US claimed
US-6800716-B2 FOR USE IN COSMETIC AND/OR TOILETRY PRODUCT WHICH IS PREFERABLY USED ON OR IN CONTACT WITH THE HAIR, SKIN AND/OR NAILS ALZO INTERNATIONAL 2004-10-05 US claimed
EP-1423448-A2 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS Alzo International, Inc. (US) 2004-06-02 EP claimed
US-20040086482-A1 Polymeric urethane ester tertiary amines and related personal care formulations ZOFCHAK ALBERT (US) 2004-05-06 US claimed
US-20030086950-A1 Polymeric urethane ester quats and their use in personal care compositions ALZO, INC. 2003-05-08 US claimed
WO-2003016247-A2 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS ALZO INTERNATIONAL, INC. (US) 2003-02-27 WO claimed
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
US-4464489-A Method for the production of polyimide powder NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1984-08-07 US claimed
US-4105622-A PROCESS FOR THE PREPARATION OF FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITIONS DAINIPPON INC. & CHEMICALS INC. (JP) 1978-08-08 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 (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-20030086950-A1 Polymeric urethane ester quats and their use in personal care compositions HHAT, CUTA, DEK TDP1 1104/4885MAPK1 2225/4885CYP3A4 1843/4885
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-20040086482-A1 Polymeric urethane ester tertiary amines and related personal care formulations BCKDK, DEK, ITK TDP1 597/4885MAPK1 1531/4885CYP3A4 1643/4885
US-20040234562-A1 Polymeric urethane ester quats and their use in personal care compositions HHAT, CUTA, DEK TDP1 1020/4885MAPK1 2211/4885CYP3A4 1880/4885
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.