SCHEMBL5089167

SCHEMBL5089167

CCCc1nc2c[n+]([O-])c3cc(OCCCNC(=O)O)ccc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.36
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
TLR8 Q9NR97 1/20 0.34
MTNR1B P49286 5/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5087063 0.96 MTNR1A (0.37) MTNR1ACA1CA2MTNR1B
SCHEMBL5087226 0.86 CA1 (0.44) CA1CA2ALDH1A1
SCHEMBL5095622 0.86 CA12 (0.47) MTNR1ACA1CA2KDM4E
SCHEMBL5089181 0.85 MTNR1A (0.37) MTNR1ACA1CA2MTNR1BALDH1A1
SCHEMBL5087070 0.82 MTNR1A (0.38) MTNR1AMTNR1B
SCHEMBL5089067 0.82 BCHE (0.41) CA1CA2
SCHEMBL5095437 0.80 CA1 (0.33) CA1CA2TLR8
SCHEMBL5090110 0.79 CA12 (0.41) CA1CA2TLR8
SCHEMBL5090124 0.76 TLR8 (0.53) TLR8
SCHEMBL5090596 0.73 TLR8 (0.54) TLR8ALDH1A1

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
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2018-03-01 US disclosed
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-03-30 US disclosed
US-9546184-B2 Alkyloxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-17 US disclosed
US-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2015-09-24 US disclosed
EP-1846419-B1 Alkoxy-substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES CO (US) 2014-04-16 EP disclosed
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-25 US disclosed
EP-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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-20150266901-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MTNR1A 782/4885CA1 3085/4885CA2 2837/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MTNR1A 782/4885CA1 3085/4885CA2 2837/4885
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines IL2, IFNG, TSLP MTNR1A 782/4885CA1 3085/4885CA2 2837/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP MTNR1A 782/4885CA1 3085/4885CA2 2837/4885

“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.