SCHEMBL5087224

SCHEMBL5087224

CCCc1nc2c[n+]([O-])c3cc(OCC(=O)N4CCOCC4)ccc3c2s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
FKBP1A P62942 10/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5090697 0.84 NPC1 (0.49) L3MBTL1FKBP1ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5087268 0.78 TLR8 (0.48) L3MBTL1FKBP1ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5533763 0.77 BRD4 (0.34) LMNA
SCHEMBL4247043 0.75 FKBP1A (0.46) L3MBTL1FKBP1ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5087063 0.75 MTNR1A (0.37)
SCHEMBL4242163 0.73 FKBP1A (0.46) L3MBTL1FKBP1ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13640045 0.68 FKBP1A (0.80) L3MBTL1FKBP1ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31581214 0.68 TLR8 (0.47) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL5089181 0.68 MTNR1A (0.37) ALDH1A1LMNA
SCHEMBL5087070 0.67 MTNR1A (0.38)

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 L3MBTL1 3231/4885FKBP1A 2208/4885NPC1 2273/4885
US-20170088559-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP L3MBTL1 3231/4885FKBP1A 2208/4885NPC1 2273/4885
US-20080318998-A1 Alkyloxy Substituted Thiazoloquinolines and Thiazolonaphthyridines IL2, IFNG, TSLP L3MBTL1 3231/4885FKBP1A 2208/4885NPC1 2273/4885
US-20180057509-A1 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, IFNG, TSLP L3MBTL1 3231/4885FKBP1A 2208/4885NPC1 2273/4885

“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.