SCHEMBL13763501

SCHEMBL13763501

Cc1cc(C2CC2)ccc1C(=O)Nc1ccc2c(c1)OCC(CO)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.43
NPC1 O15118 13/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL13763503 0.96 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763273 0.89 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763392 0.89 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13763352 0.89 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763512 0.85 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763401 0.85 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763399 0.85 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL13763311 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5033047 0.83 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5037380 0.81 NPC1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.