SCHEMBL4965121

SCHEMBL4965121

CC(=O)OCc1nc2cnc3cc(Br)ccc3c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
DYRK1A Q13627 2/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
RXFP1 Q9HBX9 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2812875 0.83 NPC1 (0.37) CYP2C19DYRK1ATSHRHTTNPC1
SCHEMBL4969106 0.83 NPC1 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5146450 0.82 MEN1 (0.35) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2808428 0.80 TRPV1 (0.38) CYP1A2CYP2C19HTTNPC1RAB9A
SCHEMBL5146514 0.79 CYP1A2 (0.44) CYP1A2CYP2C19DYRK1ATSHRNPC1
SCHEMBL5144794 0.78 TLR8 (0.41) HTTMAPTL3MBTL1KDM4EPTGES
SCHEMBL5146679 0.77 PTGES (0.33) TSHRHTTNPC1RAB9AMEN1
SCHEMBL23037587 0.76 PDPK1 (0.42) DYRK1AL3MBTL1
SCHEMBL30539842 0.76 PDPK1 (0.42) DYRK1AL3MBTL1
SCHEMBL29877302 0.76 TLR8 (0.43) HTTNPC1RAB9AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877056-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLOÝ4,5-C¨RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-01-16 EP disclosed
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-08 US disclosed
WO-2007120121-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-25 WO disclosed
WO-2006093514-A2 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-08 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 (1 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-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, TSLP, IFNG CYP1A2 1075/4885CYP2C19 1385/4885DYRK1A 3101/4885

“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.