SCHEMBL11293274

SCHEMBL11293274

COC(=O)c1ccc(C)nc1N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ KDM4E B2RXH2 7/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL11294741 0.81 TUBB4A (0.49) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL11301753 0.80 GABRP (0.43) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL12500156 0.78 NPC1 (0.57) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL20773666 0.77 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10665321 0.77 NPSR1 (0.50) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7311312 0.77 CA12 (0.47) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL1266209 0.75 KDM4E (0.54) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2027363 0.75 PDCD1 (0.52) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL334079 0.75 EGFR (0.50) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29942878 0.75 KDM4E (0.54) MAPTNPC1RAB9ASMN1; SMN2NFKB1

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
US-9487486-B2 Derivatives of nicotinic acid N-oxide, their preparation and their use as inhibitors of enzyme 3-hydroxyanthranilate-3, 4-dioxygenase UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-11-08 — — US disclosed
US-20160052886-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE UNIVERSITY OF MARYLAND, BALTIMORE 2016-02-25 — — US disclosed
US-9260394-B2 Derivatives of nicotinic acid N-oxide, their preparation and their use as inhibitors of enzyme 3-hydroxyanthranilate-3, 4-dioxygenase UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-16 — — US disclosed
US-20130289081-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE UNIVERSITA' DEGLI DI PARMA (IT) 2013-10-31 — — US disclosed
WO-2012097869-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE UNIVERSITA' DEGLI STUDI DI PARMA (IT) 2012-07-26 — — 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-20160052886-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE HAAO, NQO2, HAO1 MAPT 866/4885NPC1 2671/4885RAB9A 1380/4885
US-20130289081-A1 DERIVATIVES OF NICOTINIC ACID N-OXIDE, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ENZYME 3-HYDROXYANTHRANILATE-3, 4-DIOXYGENASE HAAO, NQO2, HAO1 MAPT 866/4885NPC1 2671/4885RAB9A 1380/4885

“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.

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