SCHEMBL13325902

SCHEMBL13325902

Cc1cccc(C(=O)NC2CCCCC2NC(=O)c2cccc(C(=O)NC3CCCCC3NCO)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CCR2 P41597 5/20 0.52
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
LMNA P02545 1/20 0.50
HCRTR1 O43613 1/20 0.50
SSTR3 P32745 2/20 0.49
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
OPRK1 P41145 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL4177737 0.82 TAS1R3 (0.74) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14198236 0.82 TAS1R3 (0.74) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14460307 0.79 RAB9A (0.97) NPC1RAB9AUSP2HPGDCTDSP1
SCHEMBL5666371 0.77 RAB9A (1.00) NPC1RAB9AUSP2HPGDCTDSP1
SCHEMBL11806 0.75 NPC1 (0.85) NPC1RAB9AUSP2HDAC8HDAC6
SCHEMBL25863591 0.74 NPC1 (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL12515199 0.73 DDB1 (0.56) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL6783466 0.72 UNG (0.54) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL10605827 0.72 HDAC8 (0.65) NPC1RAB9ATAS1R3TAS1R1LMNA
SCHEMBL23573449 0.72 NPC1 (0.78) NPC1RAB9ALMNAUSP2HDAC8

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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 NPC1 1566/4885RAB9A 4409/4885CCR2 823/4885

“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.