SCHEMBL13528906

SCHEMBL13528906

CCCCN(Cc1ccc(CNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1)C(=N)NC(=N)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
LSS P48449 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.39
LMNA P02545 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1170158 0.93 CNR2 (0.44) TP53NPC1RAB9ACNR2LMNA
SCHEMBL1171548 0.89 CNR2 (0.45) LSSCNR2LMNAALDH1A1SMN1; SMN2
SCHEMBL10083469 0.87 HDAC6 (0.43) CNR2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13523178 0.87 NPC1 (0.45) TP53NPC1RAB9ALSSTDP1
SCHEMBL1170264 0.87 NPC1 (0.45) TP53NPC1RAB9ALSSTDP1
SCHEMBL13953641 0.86 CNR2 (0.39) TP53NPC1RAB9ATDP1CNR2
SCHEMBL1108183 0.82 CNR2 (0.40) NPC1RAB9ALSSTDP1CNR2
SCHEMBL8963242 0.81 CNR2 (0.39) LSSTDP1CNR2LMNAALDH1A1
SCHEMBL13523186 0.78 CNR2 (0.37) CNR2LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1176293 0.77 HDAC6 (0.54) CNR2ALDH1A1NPSR1HDAC3HDAC4

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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TP53 4241/4885NPC1 27/4885RAB9A 1834/4885

“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.