SCHEMBL10186367

SCHEMBL10186367

Cc1noc2c1CCc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 10/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 9/20 0.51
TP53 P04637 4/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 5/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL31650136 0.79 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL31650495 0.79 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL4548308 0.79 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL11965071 0.78 CYP1A2 (0.50) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL11965101 0.75 CYP1A2 (0.79) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL29683123 0.74 RAB9A (0.64) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL11902861 0.74 RAB9A (0.64) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL13200326 0.74 DYRK1A (0.50) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL28644682 0.73 RAB9A (0.64) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL31650057 0.73 RAB9A (0.63) RAB9ASMN1; SMN2NPC1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 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 (3 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 RAB9A 856/4885SMN1; SMN2 4051/4885NPC1 13/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 RAB9A 2584/4885SMN1; SMN2 4003/4885NPC1 20/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 RAB9A 2981/4885SMN1; SMN2 2600/4885NPC1 12/4885

“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.