SCHEMBL1596423

SCHEMBL1596423

CC(Cl)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.38
USP5 P45974 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
RXRG P48443 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33

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
SCHEMBL16282705 0.84 ALDH1A1 (0.48) ALDH1A1HDAC8HDAC6CYP2C9HDAC1
SCHEMBL1505402 0.84 CYP2C9 (0.53) ALDH1A1CYP2C9USP5MEN1KMT2A
SCHEMBL677963 0.82 MAPT (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5124953 0.82 TSHR (0.55) ALDH1A1KMT2ASMN1; SMN2RXRARXRB
SCHEMBL9681747 0.81 ALDH1A1 (0.45) ALDH1A1HDAC8HDAC6CYP2C9HDAC1
SCHEMBL1597293 0.80 ALDH1A1 (0.41) ALDH1A1HDAC8HDAC6CYP2C9HDAC1
SCHEMBL12727277 0.79 ALDH1A1 (0.43) ALDH1A1HDAC8HDAC6CYP2C9HDAC1
SCHEMBL13171972 0.78 PTGS2 (0.42) ALDH1A1HDAC8HDAC6CYP2C9HDAC1
SCHEMBL2865480 0.77 ADRB2 (0.41) ALDH1A1LMNAHTTPGK1PGK2
SCHEMBL20587670 0.77 ALDH1A1 (0.59) ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780224-B1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2015-02-18 EP disclosed
US-8710165-B2 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110152388-A1 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2011-06-23 US disclosed
US-7919570-B2 narrowly dispersed; controlled molecular weight; ionic conductivity, shape stability; battery adhesive or binder; 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane or pentaerythritol reacted with bromoisobutyroyl bromide for core; living radical polymerization of acrylate or a styrene at halogen atoms as the arms NIPPON SODA CO., LTD. (JP) 2011-04-05 US disclosed
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 US disclosed
US-20080214685-A1 Multibrached Polymer and Method for Producing the Same NIPPON SODA CO., LTD. (JP) 2008-09-04 US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 US disclosed
EP-1303272-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US disclosed
CN-1437471-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed
US-4064132-A ANTIINFLAMMATORY AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1977-12-20 US disclosed
US-4060528-A ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-11-29 US disclosed
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 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 (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-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HDAC8 2115/4885HDAC6 2629/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HDAC8 2058/4885HDAC6 2529/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HDAC8 2115/4885HDAC6 2629/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HDAC8 2115/4885HDAC6 2629/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HDAC8 2058/4885HDAC6 2529/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HDAC8 2115/4885HDAC6 2629/4885

“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.