SCHEMBL5144880

SCHEMBL5144880

CCOCc1nc2c[n+]([O-])c3cc(Br)ccc3c2s1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL5146514 0.84 CYP1A2 (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL26968830 0.83 TLR8 (0.38) TLR8TLR7
SCHEMBL2809600 0.83 MEN1 (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL5146450 0.76 MEN1 (0.35) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL23037516 0.74 PDPK1 (0.40) RAB9A
SCHEMBL23037671 0.73 NQO2 (0.39) ALDH1A1
SCHEMBL4967077 0.72
SCHEMBL13128109 0.69 CYP1A2 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL2368324 0.67 TLR7 (0.38) ALDH1A1SMN1; SMN2TLR8TLR7
SCHEMBL31581214 0.67 TLR8 (0.47) ALDH1A1TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-08 US 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 MEN1 4176/4885NPC1 1672/4885RAB9A 2928/4885

“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.