SCHEMBL1121372

SCHEMBL1121372

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 3/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 4/20 0.52
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
CYP2C9 P11712 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 3/20 0.49
NFKB1 P19838 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
MYLK Q15746 1/20 0.44
ATM Q13315 1/20 0.44
GMNN O75496 1/20 0.43
PMP22 Q01453 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1121522 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL1121506 0.76 CA2 (0.44) MAPK1KMT2AMEN1CYP2C9ALDH1A1
SCHEMBL1121284 0.73 ELANE (0.46) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL10719519 0.70 SMN1; SMN2 (0.80) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL3954800 0.69 PSMB8 (0.59) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7216688 0.69 KMT2A (0.97) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL31684036 0.69 TSHR (1.00) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL493231 0.69 TSHR (1.00) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL31684034 0.69 TSHR (0.78) SMN1; SMN2MAPK1MAPTTSHRKMT2A
SCHEMBL4555453 0.69 TSHR (0.78) SMN1; SMN2MAPK1MAPTTSHRKMT2A

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 2450/4885MAPK1 2391/4885MAPT 3260/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R SMN1; SMN2 2450/4885MAPK1 2391/4885MAPT 3260/4885

“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.