SCHEMBL4722581

SCHEMBL4722581

Nc1ccc2s[nH]c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
DDAH1 O94760 1/20 0.53
CASP3 P42574 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
POLB P06746 2/20 0.47
MAOA P21397 1/20 0.46
PARP1 P09874 3/20 0.43
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
GFER P55789 1/20 0.38
TYMS P04818 2/20 0.37
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PTPRC P08575 2/20 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
SCHEMBL5807922 0.84 ALDH1A1 (0.61) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL3868022 0.76 MAPT (0.53) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL29881669 0.76 ALDH1A1 (0.72) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL18074682 0.76 LMNA (0.53) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL79949 0.76 LMNA (0.53) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5498592 0.76 ALDH1A1 (0.72) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL11543811 0.73 PARP1 (0.50) MAPTALDH1A1PARP1RAB9ASMN1; SMN2
SCHEMBL18122808 0.72 MAOA (0.59) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL17272797 0.72 ALDH1A1 (0.48) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL8807782 0.72 KDM4E (0.48) MAPTALDH1A1LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262181-B1 USE OF ISOTHIAZOLE DERIVATIVES AS UREASE INHIBITORS FOR THE TREATMENT OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES OTSUKA PHARMA CO LTD (JP) 2007-05-16 EP claimed
US-20040058952-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. 2004-03-25 US claimed
US-20030060482-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US claimed
EP-1262181-A1 UREASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP claimed
US-20180296505-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC UNM (US) 2018-10-18 US disclosed
US-20170056345-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS STC.UNM 2017-03-02 US disclosed
EP-2042334-A2 Method of producing heat-sensitive transfer image-receiving sheet Fujifilm Corporation (JP) 2009-04-01 EP disclosed
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO disclosed
EP-1262181-B1 USE OF ISOTHIAZOLE DERIVATIVES AS UREASE INHIBITORS FOR THE TREATMENT OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES OTSUKA PHARMA CO LTD (JP) 2007-05-16 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 WO disclosed
US-20040058952-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. 2004-03-25 US disclosed
US-20030060482-A1 Urease inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1262181-A1 UREASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 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 (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-20030060482-A1 Urease inhibitors PGC, SLC14A1, USP1 MAPT 3175/4885ALDH1A1 592/4885LMNA 4823/4885
US-20180296505-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS TREH, ACHE, UMPS MAPT 883/4885ALDH1A1 833/4885LMNA 4111/4885
US-20040058952-A1 Urease inhibitors PGC, SLC14A1, USP1 MAPT 3175/4885ALDH1A1 592/4885LMNA 4823/4885
US-20170056345-A1 BOOSTER DRUG THERAPY FOR MYCOBACTERIUM INFECTIONS TREH, ACHE, UMPS MAPT 883/4885ALDH1A1 833/4885LMNA 4111/4885

“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.