SCHEMBL1484306

SCHEMBL1484306

O=CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
SRD5A2 P31213 1/20 0.52
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMO O15229 3/20 0.44

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
SCHEMBL10845040 0.98 TSHR (0.57) TSHRSRD5A2ALOX5KDM4EMEN1
Water SCHEMBL11291160 0.98 TSHR (0.57) TSHRSRD5A2ALOX5KDM4EMEN1
SCHEMBL27244134 0.82 KCNQ3 (0.46) TSHRALOX5MAPTKMT2AHPGD
SCHEMBL7568030 0.82 TAS1R3 (0.47) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL13596495 0.82 NPC1 (0.44) TSHRMEN1NPC1MAPTRAB9A
SCHEMBL26921997 0.81 TSHR (0.57) TSHRSRD5A2ALOX5KDM4EMEN1
SCHEMBL9112126 0.81 TSHR (0.57) TSHRSRD5A2ALOX5KDM4EMEN1
SCHEMBL15321623 0.81 TSHR (0.57) TSHRSRD5A2ALOX5KDM4EMEN1
Water SCHEMBL11074038 0.80 TAS1R3 (0.46) TSHRNPC1MAPTRAB9AALDH1A1
Water SCHEMBL11073909 0.80 HPGD (0.47) KDM4EMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143886-B Process for the preparation of beta-arylaminoalkols such as tulobuterol, chlorpropaline, isoadrenaline dichloride and sotalol 北京化工大学 2022-11-01 CN disclosed
CN-110143886-A The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol 北京化工大学 2019-08-20 CN disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-12-05 US disclosed
EP-2650293-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-10-16 EP disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
WO-2002085369-A1 INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS, INC. (US) 2002-10-31 WO disclosed
US-6436933-B1 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE STRUCTURAL BIOINFORMATICS INC. 2002-08-20 US disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP 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 (6 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885SRD5A2 138/4885ALOX5 1849/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 TSHR 47/4885SRD5A2 156/4885ALOX5 1942/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 44/4885SRD5A2 135/4885ALOX5 1797/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885SRD5A2 138/4885ALOX5 1849/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 TSHR 43/4885SRD5A2 138/4885ALOX5 1849/4885
US-20130324542-A1 [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHOD AND USE THEREOF MET, RET, ALK TSHR 1095/4885SRD5A2 2311/4885ALOX5 3749/4885

“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.