SCHEMBL2408945

SCHEMBL2408945

O=C(O)c1ccc(N2CCC(Nc3ccccn3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.54
▸ NOS2 P35228 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ METAP1 P53582 1/20 0.46
▸ KDM5A P29375 1/20 0.44
▸ HCAR3 P49019 1/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL7461745 0.93 CASR (0.55) CASRNOS2USP2METAP1HCAR3
SCHEMBL382583 0.88 CASR (0.54) CASRUSP2MCHR1HDAC8HDAC6
SCHEMBL383181 0.88 CASR (0.54) CASRUSP2MCHR1HDAC8HDAC6
SCHEMBL12193435 0.83 NOS2 (0.47) CASRNOS2MCHR1HDAC8HDAC6
SCHEMBL2406165 0.82 HDAC1 (0.55) MCHR1HDAC8HDAC6HDAC1CHRNA7
SCHEMBL2406167 0.82 HDAC1 (0.55) MCHR1HDAC8HDAC6HDAC1CHRNA7
SCHEMBL7463214 0.81 CASR (0.54) CASRUSP2HDAC8HDAC6HDAC1
SCHEMBL7053339 0.81 CASR (0.54) CASRUSP2HDAC8HDAC6HDAC1
SCHEMBL2412579 0.80 HDAC1 (0.57) CASRUSP2MCHR1HDAC8HDAC6
SCHEMBL383016 0.80 DRD2 (0.55) CASRUSP2METAP1HCAR3DRD2

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
US-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 — — US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 — — US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 — — US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 — — 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 (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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 CASR 4681/4885NOS2 2717/4885USP2 1433/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 CASR 4681/4885NOS2 2717/4885USP2 1433/4885

“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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