SCHEMBL1121340

SCHEMBL1121340

COc1cccc2nc(S)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
NQO2 P16083 5/20 0.44
ELANE P08246 2/20 0.44
RPS6KA2 Q15349 3/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.41
HPGD P15428 3/20 0.41
C1R P00736 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 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
SCHEMBL9306722 0.81 ALDH1A1 (0.44) CYP2A6ELANEALDH1A1KDM4EMAPT
SCHEMBL10200773 0.80 ELANE (0.61) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL12778282 0.79 CYP2A6 (0.45) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL1121801 0.79 NQO2 (0.46) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL31748848 0.76 ELANE (0.49) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL2549041 0.76 RPS6KA2 (0.36) NQO2RPS6KA2ALDH1A1KDM4EMAPT
SCHEMBL6615365 0.76 MTNR1A (0.45) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL13058667 0.76 MTNR1A (0.44) CYP2A6NQO2ELANERPS6KA2ALDH1A1
SCHEMBL6489417 0.76 ELANE (0.41) CYP2A6ELANEALDH1A1MAOA
SCHEMBL3118569 0.75 ELANE (0.65) CYP2A6NQO2ELANERPS6KA2ALDH1A1

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
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

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 CYP2A6 1357/4885NQO2 1217/4885ELANE 2772/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R CYP2A6 1357/4885NQO2 1217/4885ELANE 2772/4885

“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.