SCHEMBL13655599

SCHEMBL13655599

Cc1ccc(C(=O)NCC(C)(C)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ MMP13 P45452 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CTRB1 P17538 1/20 0.45

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
SCHEMBL16418403 0.86 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6024562 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL12301890 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13655568 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL3815685 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13157756 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14297358 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL397853 0.80 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16418396 0.79 LMNA (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14500184 0.77 NPC1 (0.50) 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.

Send feedback