SCHEMBL1121567

SCHEMBL1121567

COC(=O)Cc1ccc2oc(Cl)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
GAA P10253 2/20 0.49
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GFER P55789 1/20 0.44
KDR P35968 3/20 0.43
HPSE Q9Y251 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.41

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
SCHEMBL13356594 0.84 NPC1 (0.60) NPC1ALDH1A1KDM4EMAPK1GAA
SCHEMBL23582306 0.83 ALDH1A1 (0.59) NPC1ALDH1A1KDM4EMAPK1GAA
SCHEMBL7238282 0.82 GAA (0.65) ALDH1A1KDM4EGAAHPSE
SCHEMBL6818596 0.78 MAPT (0.56) NPC1ALDH1A1KDM4EMAPK1GAA
SCHEMBL6822211 0.78 HPSE (0.61) NPC1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL6594613 0.77 IL6 (0.57) NPC1ALDH1A1KDM4EMAPK1GAA
SCHEMBL6818285 0.77 NPC1 (0.67) NPC1ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL31430617 0.77 NPC1 (0.53) NPC1ALDH1A1KDM4EMAPK1GAA
SCHEMBL6821837 0.77 NPC1 (0.67) NPC1ALDH1A1KDM4EMAPK1RAB9A
SCHEMBL6614014 0.77 KDM4E (0.58) NPC1ALDH1A1KDM4EMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
CN-1196699-C Benzazoles: benzoxazole, benzthiazole and benzimidazole derivatives ZENECA LTD (GB) 2005-04-13 CN disclosed
CN-1320124-A Benzazoles: benzoxazole, benzthiazole and benzimidazole derivatives ZENECA LTD (GB) 2001-10-31 CN 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R NPC1 3562/4885ALDH1A1 1384/4885KDM4E 3024/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R NPC1 3562/4885ALDH1A1 1384/4885KDM4E 3024/4885

“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.