SCHEMBL3560645

SCHEMBL3560645

ONC(=NF)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
ALOX15 P16050 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MAPT P10636 2/20 0.38
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL134570 0.78 IDO1 (0.46) IDO1CA12CA1CA9ALOX15
SCHEMBL3942966 0.78 IDO1 (0.46) IDO1CA12CA1CA9ALOX15
SCHEMBL6745833 0.76 IDO1 (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL3069246 0.71 GAA (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL3069249 0.71 GAA (0.44) IDO1CA12CA1CA9ALOX15
SCHEMBL5763433 0.71 ATM (0.42) IDO1CA12CA1CA9ALOX15
SCHEMBL20612832 0.67 GLA (0.41) MAPTKMT2AMEN1TDP1GAA
SCHEMBL16154143 0.67 CA12 (0.50) IDO1CA12CA1CA9ALOX15
SCHEMBL3960842 0.67 GAA (0.43) ALOX15HSD17B10MAPTALDH1A1KMT2A
SCHEMBL441773 0.67 NOS1 (0.40) IDO1ALOX15HSD17B10MAPTKMT2A

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
CN-103328436-B Aryl-Benzocycloalkylamide Derivatives HOFFMANN LA ROCHE 2015-06-10 CN disclosed
CN-101970394-B Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2015-05-27 CN disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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 (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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 IDO1 1646/4885CA12 4839/4885CA1 4222/4885

“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.