SCHEMBL6190862

SCHEMBL6190862

CC(=O)NC(Cc1cnccn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 3/20 0.40
LMNA P02545 2/20 0.40
CTSL P07711 1/20 0.39
PSMB1 P20618 1/20 0.38

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
SCHEMBL6190867 1.00 NLRP3 (0.42) NLRP3KDM4EMAPTTHRBALOX15
SCHEMBL27486167 0.83 GNPAT (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20502152 0.81 ITGB3 (0.47) ITGB3ITGA2BCTSL
SCHEMBL6095308 0.81 ITGB3 (0.47) ITGB3ITGA2BCTSL
SCHEMBL21879135 0.81 ITGB3 (0.47) ITGB3ITGA2BCTSL
SCHEMBL7897139 0.79 PTPRA (0.58) NLRP3MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29166033 0.79 PTPRA (0.58) NLRP3MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6190886 0.79 NLRP3 (0.38) NLRP3MEN1KMT2APSMB5CTSL
SCHEMBL6190893 0.79 NLRP3 (0.38) NLRP3MEN1KMT2APSMB5CTSL
SCHEMBL15498923 0.75 ITGB3 (0.43) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 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 (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-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 NLRP3 2047/4885KDM4E 1699/4885MAPT 4150/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 NLRP3 1499/4885KDM4E 1496/4885MAPT 4261/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 NLRP3 2212/4885KDM4E 1964/4885MAPT 4256/4885

“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.