SCHEMBL6190893

SCHEMBL6190893

CC(=O)N[C@@H](CO)Cc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PCNA P12004 1/20 0.36
ACACB O00763 1/20 0.36
PSMB5 P28074 4/20 0.35
CYP1A2 P05177 1/20 0.35
VNN1 O95497 1/20 0.35
CTSL P07711 1/20 0.34
MTNR1B P49286 1/20 0.34
KMT2A Q03164 2/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKACA P17612 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 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
SCHEMBL6190886 1.00 NLRP3 (0.38) NLRP3HDAC3HDAC1HDAC2HDAC6
SCHEMBL6211048 0.79 NLRP3 (0.33) NLRP3HDAC3HDAC1HDAC2HDAC6
SCHEMBL27485819 0.79 BAZ2B (0.39) NLRP3HDAC3HDAC1HDAC2HDAC6
SCHEMBL6190862 0.79 NLRP3 (0.42) NLRP3HDAC3HDAC1HDAC2HDAC6
SCHEMBL6190867 0.79 NLRP3 (0.42) NLRP3HDAC3HDAC1HDAC2HDAC6
SCHEMBL6211040 0.76 SMN1; SMN2 (0.33) NLRP3KMT2AMEN1NPC1RAB9A
SCHEMBL6747812 0.76 SMN1; SMN2 (0.33) NLRP3KMT2AMEN1NPC1RAB9A
SCHEMBL6192467 0.75 ACACB (0.48) ACACBCYP1A2KMT2AROCK2RPS6KA5
SCHEMBL27503053 0.75 ACACB (0.48) ACACBCYP1A2KMT2AROCK2RPS6KA5
SCHEMBL4062661 0.73 ROCK2 (0.55) PCNAACACBROCK2RPS6KA5RPS6KA4

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 2047/4885HDAC3 883/4885HDAC1 1987/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 NLRP3 1499/4885HDAC3 1009/4885HDAC1 2502/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 NLRP3 2212/4885HDAC3 861/4885HDAC1 1826/4885

“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.