SCHEMBL5583388

SCHEMBL5583388

COc1ncc(CNc2ccc3oc(C(=O)O)cc3c2)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PIM1 P11309 8/20 0.39
PIM2 Q9P1W9 6/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TBXAS1 P24557 1/20 0.38
NAMPT P43490 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL210033 0.84 HDAC1 (0.47) TP53NPC1RAB9A
SCHEMBL5583439 0.82 LMNA (0.45) LMNATP53PIM1PIM2
SCHEMBL5583397 0.76 DHFR (0.53) LMNATP53TAS1R3TAS1R1KMT2A
SCHEMBL3558423 0.74 TUBB4A (0.54) LMNATP53NPC1KMT2AALDH1A1
SCHEMBL5583428 0.73 HIF1A (0.58) LMNATP53TAS1R3TAS1R1KMT2A
SCHEMBL4592146 0.73 CXCR4 (0.46) LMNATP53NPC1RAB9ANAMPT
SCHEMBL5583395 0.73 PIM1 (0.59) TP53PIM1PIM2NPC1RAB9A
SCHEMBL3560484 0.72 LMNA (0.56) LMNATP53RAB9AKMT2AALDH1A1
SCHEMBL12047718 0.69 ALDH1A1 (0.46) NPC1RAB9ANAMPTKMT2AALDH1A1
SCHEMBL5583473 0.68 LMNA (0.56) LMNATP53PIM1ACHE

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-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TP53 86/4885PIM1 2009/4885

“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.