SCHEMBL4019264

SCHEMBL4019264

[c]1nc(N2CCCC2)cc(N2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.45
CASP5 P51878 2/20 0.45
CASP4 P49662 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
CHRM3 P20309 3/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP1A2 P05177 2/20 0.38
NUDT1 P36639 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 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
SCHEMBL1526838 0.73 CHKA (0.39) CASP1CASP5CASP4HRH4HPGD
SCHEMBL7303410 0.72 CYP1A2 (0.40) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL15415674 0.72 CYP1A2 (0.40) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL19548104 0.70 SMN1; SMN2 (0.61) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL15415235 0.69 CHKA (0.34) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL9163278 0.68 CASP1 (0.53) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL8962166 0.68 CASP1 (0.77) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL1671129 0.68 KMT2A (0.56) HRH4HPGDSMN1; SMN2CRHBPCRHR2
SCHEMBL24851478 0.67 CHRM3 (0.55) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL6712680 0.67 HRH1 (0.50) CASP1CASP5CASP4SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054901-A1 Dihydrothiazine prodrugs of thiazolium agents SYNVISTA THERAPEUTICS, INC. 2007-03-08 US claimed
EP-1622885-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2006-02-08 EP claimed
US-20050014747-A1 Dihydrothiazine prodrugs of thiazolium agents ALTEON INC. 2005-01-20 US claimed
WO-2004094396-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2004-11-04 WO claimed
EP-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP claimed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO claimed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP claimed
US-7511036-B2 Dihydrothiazine prodrugs of thiazolium agents SYNVISTA THERAPEUTICS, INC. (US) 2009-03-31 US disclosed
US-20070054901-A1 Dihydrothiazine prodrugs of thiazolium agents SYNVISTA THERAPEUTICS, INC. 2007-03-08 US disclosed
EP-1622885-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2006-02-08 EP disclosed
US-20050014747-A1 Dihydrothiazine prodrugs of thiazolium agents ALTEON INC. 2005-01-20 US disclosed
WO-2004094396-A2 DIHYDROTHIAZINE PRODRUGS OF THIAZOLIUM AGENTS ALTEON, INC. (US) 2004-11-04 WO disclosed
EP-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP disclosed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO disclosed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 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 (2 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-20050014747-A1 Dihydrothiazine prodrugs of thiazolium agents DHPS, HRH4, CYP8B1 CASP1 1008/4885CASP5 1229/4885CASP4 1747/4885
US-20070054901-A1 Dihydrothiazine prodrugs of thiazolium agents DHPS, HRH4, CYP8B1 CASP1 1008/4885CASP5 1229/4885CASP4 1747/4885

“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.