SCHEMBL6358749

SCHEMBL6358749

CCCCNC(=O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 1.00
TSHR P16473 1/20 0.77
HTT P42858 1/20 0.77
POLB P06746 3/20 0.66
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
NAAA Q02083 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
NAMPT P43490 1/20 0.57
CYP1A2 P05177 1/20 0.55
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL10961330 0.94 HPGD (0.88) HPGDTSHRHTTPOLBNPC1
SCHEMBL8207967 0.94 HPGD (0.88) HPGDTSHRHTTPOLBNPC1
SCHEMBL10792384 0.90 HPGD (0.81) HPGDTSHRHTTPOLBNPC1
SCHEMBL9492505 0.88 HPGD (0.78) HPGDTSHRHTTPOLBNPC1
SCHEMBL9492258 0.88 HPGD (0.78) HPGDTSHRHTTPOLBNPC1
SCHEMBL19210845 0.88 TSHR (1.00) HPGDTSHRHTTNAAAL3MBTL1
SCHEMBL28994976 0.84 HPGD (0.73) HPGDTSHRHTTPOLBNPC1
SCHEMBL10447428 0.84 HPGD (0.72) HPGDTSHRHTTPOLBLMNA
SCHEMBL3478151 0.83 HPGD (0.71) HPGDTSHRHTTPOLBNPC1
SCHEMBL4148749 0.82 HPGD (0.70) HPGDPOLBNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989083-A1 PROCESS FOR PREPARING 1,2-BENZISOTHIAZOLIN-3-ONES Titan Chemicals Limited (VG) 2016-03-02 EP disclosed
US-9067899-B2 Process for preparing 1,2-benzoisothiazolin-3-ones TITAN CHEMICALS LIMITED (VG) 2015-06-30 US disclosed
WO-2014173716-A1 PROCESS FOR PREPARING 1,2-BENZISOTHIAZOLIN-3-ONES TITAN CHEMICALS LIMITED (VG) 2014-10-30 WO disclosed
US-20140316141-A1 PROCESS FOR PREPARING 1,2-BENZOISOTHIAZOLIN-3-ONES TITAN CHEMICALS LIMITED (VG) 2014-10-23 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
CN-1067215-C Composition of mouse expelling agent containing amide SHENYANG CHEMICAL INST MINISTR (CN) 2001-06-20 CN disclosed
US-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 US disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 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 (3 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 HPGD 2359/4885TSHR 184/4885HTT 4255/4885
US-20140316141-A1 PROCESS FOR PREPARING 1,2-BENZOISOTHIAZOLIN-3-ONES MPST, CBS, NISCH HPGD 217/4885TSHR 4019/4885HTT 533/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 HPGD 2359/4885TSHR 184/4885HTT 4255/4885

“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.