SCHEMBL4944938

SCHEMBL4944938

Nc1ccccc1Nc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.67
MAPT P10636 6/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
APP P05067 1/20 0.60
ALOX15 P16050 1/20 0.60
SNCA P37840 1/20 0.60
BLM P54132 1/20 0.60
ALDH1A1 P00352 5/20 0.59
GAA P10253 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL11778003 0.87 MAPK14 (0.54) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL29688279 0.86 ALDH1A1 (0.68) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL1923372 0.86 ALDH1A1 (0.68) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL11496557 0.85 MAPK14 (0.56) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL22852097 0.84 MAPK14 (0.58) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL4607773 0.81 MAPT (0.86) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL4225343 0.81 MAPK14 (1.00) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL28146064 0.80 ALDH1A1 (0.80) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL22106370 0.80 MAPK14 (0.53) MAPK14MAPTKDM4EHSD17B10HPGD
SCHEMBL7166997 0.79 MAPT (0.75) MAPK14MAPTKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535032-B Poly-p-phenylethene derivative containing naphthalene ring structure and cyano group and preparation method and application thereof 黑龙江大学 2021-06-25 CN claimed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US claimed
CN-109535032-B Poly-p-phenylethene derivative containing naphthalene ring structure and cyano group and preparation method and application thereof 黑龙江大学 2021-06-25 CN disclosed
CN-107148269-B External preparation composition containing S-flurbiprofen 大正制药株式会社 2020-03-31 CN disclosed
CN-105646817-B Polycarbonate diol, process for producing the same, and polyurethane and active energy ray-curable polymer composition each comprising the same 三菱化学株式会社 2019-08-13 CN disclosed
CN-105037683-B Polyurethane derived from biomass resource, leather, and polyurethane for shoe sole 三菱化学株式会社 2018-11-06 CN disclosed
CN-104892884-B Polyester polyol derived from biomass resource, and polyurethane for leather and shoe sole 三菱化学株式会社 2018-06-12 CN disclosed
CN-107108873-A Polycarbonate resin 三菱化学株式会社 2017-08-29 CN disclosed
CN-105452332-B Method for producing polycarbonate diol, method for producing polyurethane, and polyurethane 三菱化学株式会社 2017-07-14 CN disclosed
CN-105646817-A Polycarbonate diol, process for producing the same, and polyurethane and active energy ray-curable polymer composition each comprising the same 三菱化学株式会社 2016-06-08 CN disclosed
CN-102844353-B Polycarbonate diol, process for producing the same, and polyurethane and active energy ray-curable polymer composition each comprising the same MITSUBISHI CHEMICAL CORP. (JP) 2016-02-17 CN disclosed
CN-102232092-A Process for producing polyurethane and use of polyurethane obtained by the process MITSUBISHI CHEM CORP 2011-11-02 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
CN-1708477-A Recording material using diphenyl sulfone derivative and novel diphenyl sulfone derivative compound NIPPON SODA CO (JP) 2005-12-14 CN disclosed
EP-0773977-B1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIED SIGNAL INC (US) 2000-04-05 EP disclosed
EP-0909797-A1 Stabilizers for vinyl ether-based coating systems AlliedSignal Inc. (US) 1999-04-21 EP disclosed
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
US-5539014-A Adhesion promoters for vinyl ether-based coating systems ALLIEDSIGNAL INC. (US) 1996-07-23 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed
US-5491178-A STABILIZING, INHIBITING THE DEHYDROGENATION BY APPLYING A COATING MIXTURE COMPRISING HINDERED PHENOLS, ORGANIC SULFIDES OR DISULFIDES AND TRANSITION METAL SALTS OR COMPLEXES ALLIEDSIGNAL INC. (US) 1996-02-13 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 (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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPK14 601/4885MAPT 97/4885KDM4E 3015/4885

“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.