SCHEMBL13655568

SCHEMBL13655568

Cc1ccc(C(=O)NCCC(C)(C)C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ LMNA P02545 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ MMP13 P45452 1/20 0.53
▸ MLYCD O95822 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPT P10636 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
SCHEMBL14297354 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13655599 0.83 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11220601 0.82 LMNA (0.85) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL18359001 0.81 LMNA (0.62) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL17865780 0.78 MLYCD (0.77) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16144546 0.77 LMNA (0.76) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL765958 0.77 L3MBTL1 (0.74) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9489979 0.77 L3MBTL1 (0.86) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL764574 0.77 MMP13 (0.81) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16418403 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB

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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 — — 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-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 NPC1 1041/4885RAB9A 4594/4885SMN1; SMN2 1325/4885

“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.

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