SCHEMBL1801128

SCHEMBL1801128

COc1ccccc1CNC(=O)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.80
RAB9A P51151 2/20 0.80
KMT2A Q03164 2/20 0.80
MEN1 O00255 1/20 0.80
POLB P06746 1/20 0.73
ALDH1A1 P00352 2/20 0.65
TDP1 Q9NUW8 1/20 0.62
HPGD P15428 5/20 0.62
TAAR1 Q96RJ0 1/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.57
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.53

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
SCHEMBL1796007 0.88 TAAR1 (0.69) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL12218241 0.84 POLB (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL28465013 0.82 NPC1 (0.81) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1750778 0.82 KMT2A (0.71) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3455686 0.78 MEN1 (0.65) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6396043 0.77 KMT2A (0.71) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23083281 0.77 NPC1 (0.72) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL14670856 0.76 HPGD (0.70) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6290073 0.76 HPGD (0.70) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6290075 0.76 HPGD (0.70) NPC1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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 (1 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 NPC1 1506/4885RAB9A 1468/4885KMT2A 3348/4885

“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.