SCHEMBL2104582

SCHEMBL2104582

CC(C)Nc1ccccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 4/20 0.50
SIRT2 Q8IXJ6 3/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.45
CLCN2 P51788 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8512716 0.87 KDM4E (0.49) KDM4EALDH1A1SIRT2IRAK4HPGD
SCHEMBL27274109 0.84 KDM4E (0.47) KDM4EALDH1A1SIRT2IRAK4HPGD
SCHEMBL1899962 0.82 KMT2A (0.54) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL31552440 0.82 AKR1C3 (0.46) KDM4EALDH1A1TP53POLBMEN1
SCHEMBL12411070 0.82 AKR1C3 (0.46) KDM4EALDH1A1TP53POLBMEN1
SCHEMBL10613997 0.82 MEN1 (0.49) KDM4EALDH1A1SIRT2IRAK4HPGD
SCHEMBL17595919 0.82 KDM4E (0.46) KDM4EALDH1A1SIRT2IRAK4HPGD
SCHEMBL960115 0.81 CTSD (0.50) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL12963990 0.81 TP53 (0.42) KDM4EALDH1A1HPGDTP53POLB
SCHEMBL10037117 0.80 ERCC5 (0.41) KDM4EALDH1A1SIRT2IRAK4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114674946-B Method for measuring four main components in N-isopropyl-anthranilamide synthesis reaction liquid 青岛科技大学 2024-05-14 CN claimed
CN-114674946-B Method for measuring four main components in N-isopropyl-anthranilamide synthesis reaction liquid 青岛科技大学 2024-05-14 CN disclosed
CN-114674946-B Method for measuring four main components in N-isopropyl-anthranilamide synthesis reaction liquid 青岛科技大学 2024-05-14 CN disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (4 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-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 KDM4E 4252/4885ALDH1A1 3575/4885SIRT2 2956/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 KDM4E 3116/4885ALDH1A1 1977/4885SIRT2 2529/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885ALDH1A1 3102/4885SIRT2 1101/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885SIRT2 2879/4885

“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.