SCHEMBL3134174

SCHEMBL3134174

O=C=Nc1ccc2ccc3c(N=C=O)ccc4ccc1c2c43

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TRPA1 O75762 1/20 0.36
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 2/20 0.32
THRB P10828 1/20 0.32
ERBB2 P04626 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
MAPK1 P28482 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
SCHEMBL3714083 0.92 ALDH1A1 (0.45) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL10533148 0.82 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10380818 0.76 CYP3A4 (0.38) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29405309 0.75 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL27066 0.75 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1169526 0.73 CYP3A4 (0.43) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL7615941 0.72 CYP1A2 (0.44) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL22210 0.70 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29370250 0.70 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL29642615 0.70 ALDH1A1 (0.42) CYP3A4ALDH1A1HPGDTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776977-A 1, 6-pyrene diisocyanate, preparation method thereof and application thereof in modified polyurethane elastomer 青岛科凯达橡塑有限公司 2024-03-29 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
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
CN-117776977-A 1, 6-pyrene diisocyanate, preparation method thereof and application thereof in modified polyurethane elastomer 青岛科凯达橡塑有限公司 2024-03-29 CN disclosed
CN-117776977-A 1, 6-pyrene diisocyanate, preparation method thereof and application thereof in modified polyurethane elastomer 青岛科凯达橡塑有限公司 2024-03-29 CN disclosed
CN-117776977-A 1, 6-pyrene diisocyanate, preparation method thereof and application thereof in modified polyurethane elastomer 青岛科凯达橡塑有限公司 2024-03-29 CN disclosed
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 disclosed
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 disclosed
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
EP-2554392-B1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME MITSUBISHI PAPER MILLS LTD (JP) 2016-05-11 EP disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4125693-A Process for the production of polyurethanes dissolved in a solvent and also their use for the production of fabricated shapes, especially of microporous structures CHEMIE-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1978-11-14 US disclosed
US-4123599-A PHENOLIC RESINS REACTED WITH ORGANIC DIISOCYANATES AND/OR POLYISOCYANTES IN THE PRESENCE OF METAL POWDERS AND/OR METAL OXIDE POWDERS CHEMIE-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1978-10-31 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed
US-4108807-A REACTING A METALLATE WITH A PSEUDOHALIDE IN THE PRESENCE OF A PHENOL-SUBSTITUTED TERTIARY AMINE CATALYST CHEMIC-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1978-08-22 US disclosed
US-4108954-A Process of producing shaped structures of crosslinked elastomeric polyurethane CHEMIE-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1978-08-22 US disclosed
US-4098730-A Non-flammable organo-red mud polymers, some of which are electrically conductive, and process for their manufacture METALLGESELLSCHAFT AKTIENGESELLSCHAFT (DE) 1978-07-04 US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US 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 (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 CYP3A4 796/4885ALDH1A1 956/4885HPGD 2416/4885
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 CYP3A4 796/4885ALDH1A1 956/4885HPGD 2416/4885

“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.