SCHEMBL2400534

SCHEMBL2400534

COc1ccc(-c2nc(NC(=O)C3CCCC(C(=O)Nc4nc(C)c(C(C)=O)s4)C3C(=O)O)sc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 2/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 6/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2398728 0.83 ALDH1A1 (0.58) MAPTLMNASMN1; SMN2POLBUSP2
SCHEMBL1916359 0.73 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2POLBTP53
SCHEMBL1915756 0.73 ALDH1A1 (0.62) MAPTLMNAPOLBKDM4EHTT
SCHEMBL2400729 0.72 MEN1 (0.51) MAPTLMNASMN1; SMN2POLBUSP2
SCHEMBL1916165 0.72 ALDH1A1 (0.60) MAPTLMNASMN1; SMN2POLBKDM4E
SCHEMBL2398520 0.71 ALDH1A1 (0.76) MAPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1914959 0.71 ALDH1A1 (0.60) MAPTLMNASMN1; SMN2POLBKDM4E
SCHEMBL2399219 0.70 ALDH1A1 (0.58) MAPTSMN1; SMN2POLBALOX15KDM4E
SCHEMBL1915602 0.70 ALDH1A1 (0.60) MAPTLMNASMN1; SMN2POLBKDM4E
SCHEMBL2398397 0.70 ALDH1A1 (0.60) MAPTLMNASMN1; SMN2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC MAPT 1763/4885LMNA 2376/4885SMN1; SMN2 3353/4885

“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.