SCHEMBL513192

SCHEMBL513192

O=CNCc1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.61
ADH1C P00326 1/20 0.61
ADH1A P07327 1/20 0.61
ADH7 P40394 1/20 0.61
CXCR3 P49682 1/20 0.41
ALOX5 P09917 1/20 0.38
CYP3A4 P08684 2/20 0.37
IDO1 P14902 2/20 0.37
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
APEX1 P27695 1/20 0.34
PMP22 Q01453 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
SCHEMBL8763196 0.88 ADH1B (0.76) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL8763263 0.81 ADH1B (0.67) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL4364954 0.78 LMNA (0.44) ADH1BADH1CADH1AADH7CYP3A4
SCHEMBL11172866 0.78 CXCR3 (0.52) CXCR3CYP3A4IDO1APPCYP1A2
SCHEMBL43651 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7CYP3A4
SCHEMBL4633463 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL5221625 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL17503962 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7CYP1A2
SCHEMBL1486309 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL3306571 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7CYP1A2

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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-10842753-B2 Modified alginates for cell encapsulation and cell therapy MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 US disclosed
US-20190262272-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-08-29 US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (4 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-10842753-B2 Modified alginates for cell encapsulation and cell therapy ALG1, CD44, CD47 ADH1B 3323/4885ADH1C 4264/4885ADH1A 4435/4885
US-20190262272-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY ALG1, CD44, CD47 ADH1B 3323/4885ADH1C 4264/4885ADH1A 4435/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ADH1B 705/4885ADH1C 297/4885ADH1A 879/4885

“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.