SCHEMBL5435779

SCHEMBL5435779

COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.98
RAB9A P51151 5/20 0.98
NR2F2 P24468 3/20 0.98
GALR3 O60755 2/20 0.98
SMN1; SMN2 Q16637 5/20 0.71
HTT P42858 4/20 0.71
LMNA P02545 2/20 0.71
MAPK1 P28482 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
STAT3 P40763 1/20 0.66
APP P05067 1/20 0.64
MAPT P10636 5/20 0.61
TSHR P16473 3/20 0.61
POLB P06746 2/20 0.61
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.55
RECQL P46063 1/20 0.55
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55

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
Hydrochloric Acid SCHEMBL17456961 0.99 RAB9A (1.00) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL5439725 0.87 NPC1 (0.75) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL5439670 0.86 RAB9A (0.74) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL5423244 0.86 NPC1 (0.74) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL5442987 0.84 NPC1 (0.71) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL17456981 0.83 SMN1; SMN2 (1.00) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL5433514 0.81 NPC1 (0.67) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL13165084 0.81 NR2F2 (0.67) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL17001434 0.78 APP (1.00) NPC1RAB9ANR2F2GALR3SMN1; SMN2
SCHEMBL23378532 0.77 CLK1 (0.67) NPC1RAB9ANR2F2GALR3SMN1; 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 NPC1 3777/4885RAB9A 1976/4885NR2F2 739/4885

“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.