SCHEMBL13996002

SCHEMBL13996002

O=C(Nc1ccc2c(c1)OCC(CO)O2)c1ccc(C2CC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.50
RAB9A P51151 12/20 0.50
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13763311 0.89 RAB9A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13763510 0.88 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13544354 0.85 RAB9A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13995995 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13763376 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13763375 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13763392 0.82 NPC1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13993451 0.82 NPC1 (0.46) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL13763348 0.81 HDAC8 (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13763398 0.77 NPC1 (0.54) NPC1RAB9APRKAB2PRKAG1PRKAA2

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.