SCHEMBL1121284

SCHEMBL1121284

O=S(=O)(c1cccc2nc(NC3CCNCC3)oc12)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
KMT2A Q03164 5/20 0.43
CYP3A4 P08684 4/20 0.43
NFKB1 P19838 3/20 0.43
TSHR P16473 2/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR6 P50406 4/20 0.41
CYP2D6 P10635 3/20 0.41
MYLK Q15746 3/20 0.41
TP53 P04637 2/20 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
SCHEMBL1121470 0.83 ELANE (0.45) ELANECYP1A2ALDH1A1HTR6CYP2D6
SCHEMBL1121538 0.80 EPHX2 (0.45) ELANEKMT2AALDH1A1MAPTTP53
SCHEMBL1121299 0.74 ELANE (0.47) ELANECYP3A4TSHRHIF1ALMNA
SCHEMBL4593453 0.74 ELANE (0.50) ELANEKMT2ACYP3A4TSHRHIF1A
SCHEMBL1121233 0.74 SSTR5 (0.66) HTR2BHRH1KCNH2
SCHEMBL1121200 0.74 SSTR5 (0.68) HTR2BHRH1KCNH2
Bromide SCHEMBL1121690 0.73 ELANE (0.49) ELANEKMT2ACYP3A4TSHRHIF1A
SCHEMBL1121295 0.73 SSTR5 (0.67) HTR2BHRH1KCNH2
SCHEMBL1121397 0.73 SSTR5 (0.63) HTR2BHRH1KCNH2
SCHEMBL3453495 0.73 ELANE (0.78) ELANELMNACYP1A2ALDH1A1MAPT

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 ELANE 2772/4885KMT2A 3893/4885CYP3A4 734/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ELANE 2772/4885KMT2A 3893/4885CYP3A4 734/4885

“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.