SCHEMBL13993451

SCHEMBL13993451

O=C(Nc1ccc2c(c1)OCC(CO)O2)c1ccc(C#CC2CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.46
RAB9A P51151 11/20 0.46
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13544156 0.90 RAB9A (0.47) NPC1RAB9AKMT2AMEN1BACE1
SCHEMBL13544152 0.89 NPC1 (0.42) NPC1RAB9AKMT2AMEN1BACE1
SCHEMBL13544144 0.86 NPC1 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5250027 0.86 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5251998 0.86 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13757261 0.86 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13544158 0.84 NPC1 (0.40) NPC1RAB9AKMT2AMEN1BACE1
SCHEMBL13757267 0.82 HIF1A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13996002 0.82 NPC1 (0.50) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL13993380 0.82 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-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 NPC1 959/4885RAB9A 2274/4885PRKAB2 1866/4885

“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.