SCHEMBL4804463

SCHEMBL4804463

COc1ccc(-c2cc(C(=O)O)cnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
HDAC1 Q13547 1/20 0.58
MAP4K4 O95819 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CHEK1 O14757 1/20 0.50
NR4A2 P43354 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CHEK2 O96017 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
RXRA P19793 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM5A P29375 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 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
SCHEMBL20987083 0.88 KDM1A (0.51) KDM1AHDAC1MAP4K4SMN1; SMN2CA1
SCHEMBL5904086 0.87 CHEK2 (0.59) KDM1AHDAC1MAP4K4CA1CA2
SCHEMBL20885803 0.83 MAP4K4 (0.55) KDM1AHDAC1MAP4K4SMN1; SMN2CA1
SCHEMBL20885652 0.83 MAP4K4 (0.55) KDM1AHDAC1MAP4K4SMN1; SMN2CA1
SCHEMBL20885881 0.82 MALT1 (0.55) KDM1AHDAC1MAP4K4SMN1; SMN2CA1
SCHEMBL28414233 0.81 MALT1 (0.57) KDM1AHDAC1CA1CA2MALT1
SCHEMBL20885643 0.81 MAP4K4 (0.53) KDM1AHDAC1MAP4K4SMN1; SMN2CA1
SCHEMBL4678205 0.81 AKT1 (0.54) MAP4K4SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL20885878 0.81 HDAC1 (0.62) KDM1AHDAC1MAP4K4SMN1; SMN2MALT1
SCHEMBL20885879 0.80 KDM1A (0.53) KDM1AHDAC1MAP4K4SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345059-B2 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-03-18 US disclosed
US-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-08-24 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 (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-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof CNR1, HDAC10, AKR1B10 KDM1A 1576/4885HDAC1 134/4885MAP4K4 4114/4885

“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.