SCHEMBL3579306

SCHEMBL3579306

CCOc1ccc(Br)nc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 3/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CALM1 P0DP23 1/20 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
SCHEMBL21823686 0.86 HPGD (0.39) SMN1; SMN2HPGDKDM4EMAPTGAA
SCHEMBL28566471 0.84 KMT2A (0.33) ADORA2AADORA1KDM4EMAPTALDH1A1
SCHEMBL14971502 0.82 NQO2 (0.40) KDM4EMAPTALDH1A1
SCHEMBL34471362 0.81 S1PR4 (0.38) S1PR1
SCHEMBL20116553 0.79 KDM4E (0.51) SMN1; SMN2HPGDKDM4EMAPTGAA
SCHEMBL20116552 0.78 KDM4E (0.40) SMN1; SMN2HPGDKDM4EMAPTGAA
SCHEMBL27361645 0.78 MAPT (0.40) SMN1; SMN2HPGDKDM4EMAPTGAA
SCHEMBL6513147 0.77 ADORA2A (0.49) SMN1; SMN2HPGDADORA2AADORA1KDM4E
SCHEMBL34466130 0.76 TLR8 (0.49) SMN1; SMN2HPGDADORA2AADORA1KDM4E
SCHEMBL27409803 0.76 TLR8 (0.49) SMN1; SMN2HPGDADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 SMN1; SMN2 1968/4885HPGD 2033/4885ADORA2A 387/4885

“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.