SCHEMBL11297837

SCHEMBL11297837

Cc1cc(-c2ccccc2)c(C#N)c(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
HPGD P15428 4/20 1.00
HSD17B10 Q99714 4/20 1.00
RXFP1 Q9HBX9 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
PPARG P37231 1/20 0.73
STAT3 P40763 1/20 0.73
NR2E3 Q9Y5X4 1/20 0.73
NCOR2 Q9Y618 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.72
ADORA2A P29274 9/20 0.71
ADORA1 P30542 8/20 0.71
MAPT P10636 2/20 0.63
GLA P06280 2/20 0.63
GAA P10253 2/20 0.63
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.63
ALOX15 P16050 1/20 0.63
CASP1 P29466 1/20 0.63

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
SCHEMBL14176622 0.87 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL11125327 0.86 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL6253909 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL31120336 0.83 ADORA1 (1.00) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL4911494 0.83 ADORA1 (1.00) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL31120420 0.82 ADORA1 (1.00) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL22208383 0.82 ADORA1 (1.00) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL31120383 0.82 ADORA1 (1.00) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL31350444 0.81 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10RXFP1
SCHEMBL31350615 0.81 HPGD (0.68) KDM4EALDH1A1HPGDHSD17B10RXFP1

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 KDM4E 2416/4885ALDH1A1 245/4885HPGD 22/4885
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 KDM4E 2416/4885ALDH1A1 245/4885HPGD 22/4885

“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.