SCHEMBL1914656

SCHEMBL1914656

CN1CCOc2cc(-c3ccccc3-c3csc(NC4CC4)n3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
GRM5 P41594 6/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TYR P14679 1/20 0.39
SYK P43405 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTGS2 P35354 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CXCR3 P49682 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL2400055 0.89 GRM5 (0.45) IRAK4GRM5NPC1RAB9ASYK
SCHEMBL16499544 0.76 TYR (0.41) NPC1RAB9ATYRITGB3ITGA2B
SCHEMBL16498284 0.76 NPC1 (0.44) NPC1RAB9ATYRMEN1KMT2A
SCHEMBL16498466 0.75 NPC1 (0.41) NPC1RAB9ATYRMEN1ALDH1A1
SCHEMBL16498495 0.73 RAB9A (0.46) NPC1RAB9ATYRMEN1MAPT
SCHEMBL1915519 0.73 CNR2 (0.52) NPC1RAB9ATYRSYK
SCHEMBL1915698 0.73 CCNK (0.47) NPC1RAB9ATYR
SCHEMBL1915537 0.72 NPC1 (0.44) IRAK4NPC1RAB9ATYRMAPT
SCHEMBL1915656 0.71 FFAR2 (0.48) IRAK4NPC1RAB9ATYRSYK
SCHEMBL1915236 0.71 NPC1 (0.47) NPC1RAB9ATYRSYKMEN1

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC IRAK4 3529/4885GRM5 1583/4885NPC1 28/4885

“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.