SCHEMBL4497189

SCHEMBL4497189

Cc1ncccc1NCCc1c(Cl)ncnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
CRHR1 P34998 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
POLB P06746 1/20 0.33
P2RX7 Q99572 2/20 0.33
PDE10A Q9Y233 1/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31613110 0.79 HTT (0.50) GAACRHR1P2RX7KMT2AHTT
SCHEMBL8670176 0.79 HTT (0.50) GAACRHR1P2RX7KMT2AHTT
SCHEMBL10874822 0.75 GAA (0.51) GAAMETAP2METAP1POLBKMT2A
SCHEMBL8510998 0.74 PDE5A (0.48) GAAPOLBP2RX7HTTMAPT
SCHEMBL7515463 0.73 MAPT (0.44) GAAPOLBP2RX7KMT2AMEN1
SCHEMBL27660967 0.71 NPC1 (0.48) HTTMAPTKDM4CSMN1; SMN2
SCHEMBL3968831 0.70 PDE4B (0.43) GAAPOLBP2RX7PDE10AHTT
SCHEMBL8508286 0.70 GRM5 (0.51) POLBP2RX7PDE10AKMT2AMEN1
SCHEMBL8510590 0.69 L3MBTL1 (0.45) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14067278 0.69 P2RX7 (0.44) GAACRHR1POLBP2RX7KMT2A

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-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 GALR3 1329/4885GAA 185/4885CRHR1 2562/4885

“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.