SCHEMBL4156800

SCHEMBL4156800

COc1ccc(NC(=O)c2ccc(-c3cnc(NCCc4ccncc4)cn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.57
HDAC1 Q13547 1/20 0.49
SNCA P37840 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGDR Q13258 3/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PSMD14 O00487 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
SCHEMBL14651868 0.75 HDAC1 (0.74) HDAC1KMT2AMAPTMEN1NPC1
SCHEMBL3393585 0.75 CSNK2A2 (0.48) NAMPTHDAC1BCHEACHEKMT2A
SCHEMBL4148108 0.74 FYN (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL20284424 0.74 RAB9A (0.71) NAMPTBCHEACHEKMT2APOLB
SCHEMBL3249345 0.73 SMN1; SMN2 (0.62) HDAC1MAPTSMN1; SMN2ALDH1A1PTGDR
SCHEMBL4139805 0.73 FYN (0.56) MAPTSMN1; SMN2ALDH1A1TP53ALOX15
SCHEMBL4139796 0.73 CYP1A2 (0.47) MAPTSMN1; SMN2ALDH1A1PTGDRCYP2C19
SCHEMBL20379201 0.73 NAMPT (1.00) NAMPTHDAC1
SCHEMBL3271513 0.73 RAB9A (0.77) NAMPTKMT2APOLBMEN1SMN1; SMN2
SCHEMBL3270932 0.73 RAB9A (0.77) NAMPTBCHEACHEKMT2APOLB

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT NAMPT 2610/4885HDAC1 2655/4885SNCA 1397/4885

“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.