SCHEMBL395007

SCHEMBL395007

C#CCCC1Nc2ccccc2S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL10738044 0.77 IDO1 (0.48) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL31403242 0.76 IDO1 (0.55) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL20182754 0.75 IDO1 (0.46) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL5437237 0.73 IDO1 (0.52) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL18101183 0.72 IDO1 (0.47) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL5198966 0.72 HSD17B10 (0.47) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL10741925 0.72 IDO1 (0.43) IDO1RAB9AHSD17B10MEN1KMT2A
SCHEMBL7746835 0.71 IDO1 (0.42) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL20646066 0.69 IDO1 (0.47) IDO1RAB9AHSD17B10GLAMEN1
SCHEMBL20751699 0.69 IDO1 (0.47) IDO1RAB9AHSD17B10GLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 IDO1 2868/4885RAB9A 1309/4885HSD17B10 2127/4885

“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.