SCHEMBL46488

SCHEMBL46488

COCC(=O)NCc1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.57
ALDH1A1 P00352 13/20 0.57
HPGD P15428 7/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 2/20 0.57
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GFER P55789 1/20 0.50
ADRB2 P07550 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 2/20 0.49
SMO Q99835 1/20 0.48
WDR5 P61964 1/20 0.48
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL39537 0.83 WDR5 (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL44280 0.83 POLB (0.51) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL38543 0.80 WDR5 (0.45) HPGDMAPTRAB9APOLBWDR5
SCHEMBL11668836 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL25263897 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL38601 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL44281 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL25878920 0.73 KDM4E (0.67) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL1494696 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL25876071 0.72 KDM4E (0.73) KDM4EALDH1A1HPGDLMNAMAPT

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
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 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 (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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A KDM4E 1644/4885ALDH1A1 391/4885HPGD 151/4885

“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.