Chlorobenzene

Chlorobenzene

SCHEMBL2958762

CC(C)OC(C)C.Clc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34

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
Chlorobenzene SCHEMBL10430192 0.80 TSHR (0.69) TSHRCYP1A2IDO1TDO2ALDH1A1
Chlorobenzene SCHEMBL28949858 0.80 TSHR (0.69) TSHRCYP1A2IDO1TDO2ALDH1A1
Chlorobenzene SCHEMBL11566975 0.78 TSHR (0.65) TSHRCYP1A2IDO1TDO2ADRB2
Biphenyl SCHEMBL8635297 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1L3MBTL1SLC6A4
Chlorobenzene SCHEMBL8816426 0.78 TSHR (0.65) TSHRCYP1A2IDO1TDO2ATM
Chlorobenzene SCHEMBL10495324 0.78 TSHR (0.65) TSHRCYP1A2ALDH1A1ADRB2HTR2A
Chlorobenzene SCHEMBL18094354 0.77 TSHR (0.73) TSHRCYP1A2IDO1TDO2ALDH1A1
Chlorobenzene SCHEMBL3930673 0.76
Chlorobenzene SCHEMBL10408107 0.76
SCHEMBL24715429 0.76 TSHR (1.00) TSHRCYP1A2IDO1TDO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101125863-B Preparation method for alendronic acid ZHEJIANG XINDONGGANG DRUG HOLDING CO LTD 2011-07-27 CN disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
CN-101125863-A Preparation method for alendronic acid ZHEJIANG XINDONGGANG DRUG HOLD (CN) 2008-02-20 CN disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 TSHR 1858/4885CYP1A2 2284/4885IDO1 251/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 TSHR 1858/4885CYP1A2 2284/4885IDO1 251/4885

“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.