SCHEMBL1121522

SCHEMBL1121522

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 4/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.44
USP2 O75604 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
BLM P54132 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1121372 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4986449 0.76 PRSS1 (0.35) KMT2AMEN1ALDH1A1LMNAHTR6
SCHEMBL11686944 0.76 TTR (0.39) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL1121456 0.76 CA2 (0.44) KMT2ACYP2C9CYP1A2MAPTMAPK1
SCHEMBL1121284 0.73 ELANE (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7216688 0.69 KMT2A (0.97) SMN1; SMN2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL19259817 0.69 TSHR (0.71) SMN1; SMN2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL1063351 0.68 KMT2A (1.00) SMN1; SMN2KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL5043562 0.67 PSMB8 (0.56) SMN1; SMN2ALDH1A1CYP1A2MAPK1
SCHEMBL5422444 0.65 L3MBTL1 (0.76) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR

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 SMN1; SMN2 2450/4885KMT2A 3893/4885MEN1 2150/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R SMN1; SMN2 2450/4885KMT2A 3893/4885MEN1 2150/4885

“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.