SCHEMBL727648

SCHEMBL727648

CC[CH]NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 2/20 0.52
ALOX15 P16050 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
NAAA Q02083 1/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL1416655 0.86 RAB9A (0.49) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL1556345 0.83 NAAA (0.54) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL17188462 0.82 RAB9A (0.58) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL6551872 0.82 RAB9A (0.58) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL1416822 0.82 NAAA (0.57) RAB9ANPC1HDAC1HDAC6HDAC3
SCHEMBL4741279 0.81 ASF1A (0.51) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL8457012 0.80 NPC1 (0.51) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL28311338 0.80 ALDH1A1 (0.57) NPC1GAAHDAC1HDAC3HDAC2
SCHEMBL9430957 0.79 HDAC1 (0.47) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL289886 0.78 NPC1 (0.57) RAB9ANPC1GAAALOX15HDAC1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4694834-B2 2011-06-08 JP claimed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 EP claimed
JP-2006504646-A 2006-02-09 JP claimed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 EP claimed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 WO claimed
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
EP-2308828-A2 CaSR antagonist Japan Tobacco Inc. (JP) 2011-04-13 EP disclosed
EP-2165830-B1 Lithographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2011-03-16 EP disclosed
EP-2189439-A2 CaSR antagonist Japan Tobacco, Inc. (JP) 2010-05-26 EP disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
EP-2165830-A1 Lithographic printing plate precursor and printing method using the same Fujifilm Corporation (JP) 2010-03-24 EP disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL RAB9A 611/4885NPC1 1388/4885GAA 2876/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL RAB9A 611/4885NPC1 1388/4885GAA 2876/4885

“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.