SCHEMBL3630705

SCHEMBL3630705

NCCCC(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.68
KCNH2 Q12809 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNN4 O15554 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
MAOA P21397 1/20 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
SCHEMBL28472455 0.93 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL902585 0.91 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL29674396 0.91 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1524876 0.85 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3985816 0.84 KIF11 (0.65) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28286751 0.84 KIF11 (0.65) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL5201763 0.83 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2679441 0.81 KIF11 (1.00) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL10384482 0.79 KIF11 (0.45) KIF11KCNN4TAAR1
Water SCHEMBL11129297 0.79 KIF11 (0.95) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262435-B Method for preparing chiral polymethylamino triazole through three-component polymerization based on alkyne, amine and azide and application 大连理工大学 2023-02-14 CN disclosed
CN-105367560-B Tetracarboxylic dianhydride, polymer, aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element containing triazole 捷恩智株式会社 2019-11-05 CN disclosed
CN-108573823-A Thin film switch 上海锦昀电子科技有限公司 2018-09-25 CN disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
CN-104058993-B Photonasty diamines, polyamic acid or derivatives thereof, aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display cells 捷恩智株式会社 2017-09-15 CN disclosed
CN-105524626-A Liquid crystal orientation agent containing polyamide acid and ramification thereof, liquid crystal orientation film and liquid crystal display element JNC CORP 2016-04-27 CN disclosed
CN-105367560-A Tetracarboxylic dianhydride containing triazole, polymer, liquid crystal aligning agent, liquid crystal aligning membrane, and display element JNC CORP 2016-03-02 CN disclosed
CN-104058993-A Photosensitive Diamines, Polyamide Acid And Derivatives Thereof, Liquid Crystal Aligning Agents, Liquid Crystal Alignment Films And Liquid Crystal Display Devices JNC PETROCHEMICAL CORP 2014-09-24 CN disclosed
CN-103387833-A Liquid crystal alignment agent for photo alignment, liquid crystal alignment layer for photo alignment, and liquid crystal display element JNC CORP 2013-11-13 CN disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
CN-1869108-B Laminated polyester film, flame-retardant polyester film thereof, copper-clad laminated plate and circuit substrate TORAY INDUSTRIES 2010-06-09 CN disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 US disclosed
CN-100415827-C Fire resistance polyester film and processed product using the film TORAY INDUSTRIES (JP) 2008-09-03 CN disclosed
CN-1295076-C Polyester film and recording medium using same TORAY INDUSTRIES (JP) 2007-01-17 CN disclosed
CN-1869108-A Laminated polyester film, flame-retardant polyester film thereof, copper-clad laminated plate and circuit substrate TORAY INDUSTRIES (JP) 2006-11-29 CN disclosed
CN-1277868-C Biaxially oriented film and magnetic recording medium TORAY INDUSTRIES (JP) 2006-10-04 CN disclosed
CN-1517402-A Fire resistance polyester film and processed product using the film ������������ʽ���� 2004-08-04 CN disclosed
CN-1358624-A Polyester film and recording medium using same TORAY INDUSTRIES (JP) 2002-07-17 CN disclosed
CN-1320138-A Biaxially oriented film and magnetic recording medium TORAY INDUSTRIES (JP) 2001-10-31 CN 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 (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-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST KIF11 3056/4885KCNH2 2323/4885CYP3A4 115/4885

“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.