SCHEMBL589245

SCHEMBL589245

c1ccc2nc3sncc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 6/20 0.54
HPGD P15428 3/20 0.54
GLA P06280 2/20 0.54
ACHE P22303 1/20 0.54
HTR3A P46098 1/20 0.41
KDM4E B2RXH2 8/20 0.41
POLB P06746 5/20 0.41
GAA P10253 4/20 0.41
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 6/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NQO2 P16083 1/20 0.37
LMNA P02545 2/20 0.36
PTBP1 P26599 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL30129736 0.76 PDE3B (0.38) ALDH1A1MAPTHTR3AKDM4EGAA
SCHEMBL28597228 0.76 NOS1 (0.34)
SCHEMBL30129600 0.76 CYP1A2 (0.44) ALDH1A1MAPTPOLBCYP1A2TDP1
SCHEMBL28602584 0.76 PDE3B (0.38) ALDH1A1MAPTHTR3AKDM4EGAA
SCHEMBL30129681 0.76 NOS1 (0.34)
Acridine SCHEMBL29352289 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL1772714 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL3045498 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL8339 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL4972293 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN disclosed
EP-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 EP disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
EP-1848723-B1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-12-15 EP disclosed
EP-1848723-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2007-10-31 EP disclosed
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-10-19 US disclosed
WO-2006089054-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-24 WO disclosed
EP-1664062-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
US-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2005019228-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2005-03-03 WO 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-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents TOP1, IRF3, RECQL ALDH1A1 2406/4885MAPT 4593/4885HPGD 2840/4885
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents TOP1, RECQL, IRF3 ALDH1A1 2630/4885MAPT 4634/4885HPGD 3051/4885
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 ALDH1A1 2630/4885MAPT 4634/4885HPGD 3051/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL ALDH1A1 2036/4885MAPT 4590/4885HPGD 2853/4885

“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.