SCHEMBL13700747

SCHEMBL13700747

CNC1CCC(NC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 6/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
GRM5 P41594 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
PTBP1 P26599 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 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
SCHEMBL13700751 0.88 SMYD3 (0.54) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL13707511 0.83 NPC1 (0.46) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL30540356 0.79 SMYD3 (0.62) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL26414404 0.79 NPC1 (0.69) NPC1RAB9AKDM4EKMT2AGRM5
SCHEMBL9888561 0.78 MAPT (0.67) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL12040482 0.78 MAPT (0.67) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL17457477 0.75 HDAC6 (0.72) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL17457476 0.75 HDAC6 (0.72) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL12093588 0.75 RAB9A (0.73) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL25774166 0.74 NPC1 (0.67) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105146-A1 Nucleic-acid triggered release of molecules Riken (JP) 2009-09-30 EP disclosed
US-20090227691-A1 METHOD FOR RELEASING MOLECULE OF INTEREST BASED ON TARGET NUCLEIC ACID SEQUENCE RIKEN (JP) 2009-09-10 US disclosed
US-20090227691-A1 METHOD FOR RELEASING MOLECULE OF INTEREST BASED ON TARGET NUCLEIC ACID SEQUENCE RIKEN (JP) 2009-09-10 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-20090227691-A1 METHOD FOR RELEASING MOLECULE OF INTEREST BASED ON TARGET NUCLEIC ACID SEQUENCE DUT, ADAR, RNGTT NPC1 1539/4885RAB9A 4312/4885MAPT 4158/4885

“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.