SCHEMBL13544486

SCHEMBL13544486

CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.66
NPC1 O15118 12/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
TP53 P04637 4/20 0.66
HPGD P15428 2/20 0.66
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
TRPV1 Q8NER1 6/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
MTOR P42345 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL13544352 0.85 TRPV1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5174946 0.82 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13763350 0.82 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3586601 0.81 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13544729 0.79 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3594509 0.77 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3594512 0.77 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763310 0.76 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763351 0.76 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763520 0.76 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (2 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2452/4885NPC1 879/4885SMN1; SMN2 2207/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885SMN1; SMN2 2392/4885

“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.