SCHEMBL6783579

SCHEMBL6783579

CC(C)c1ccc(C(=O)Nc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 5/20 1.00
SMN1; SMN2 Q16637 3/20 0.74
TP53 P04637 1/20 0.74
NAMPT P43490 7/20 0.71
CYP11B1 P15538 3/20 0.71
CYP11B2 P19099 3/20 0.71
TRPV1 Q8NER1 2/20 0.66
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
HIF1A Q16665 1/20 0.65
MAPK1 P28482 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL31610757 1.00 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL12079361 0.89 RAB9A (0.80) RAB9ANPC1SMN1; SMN2NAMPTCYP11B1
SCHEMBL21561728 0.85 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL14082561 0.85 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL12017790 0.85 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL12017613 0.85 BRAF (0.79) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL23987239 0.84 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53NAMPT
SCHEMBL10978857 0.83 CYP11B1 (1.00) RAB9ANPC1SMN1; SMN2NAMPTCYP11B1
SCHEMBL12078341 0.83 NAMPT (0.77) RAB9ANPC1SMN1; SMN2NAMPTCYP11B1
SCHEMBL3403542 0.83 NAMPT (0.73) RAB9ANPC1SMN1; SMN2TP53NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT RAB9A 2995/4885NPC1 35/4885SMN1; SMN2 4738/4885

“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.