SCHEMBL4160569

SCHEMBL4160569

[CH2]c1cccc2sc3cccc([CH2])c3c12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL4961400 0.84 GPR3 (0.54) GPR3MCL1
SCHEMBL4160573 0.72 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL13864490 0.71 ALDH1A1 (0.50) GPR3MAPK1MCL1CA12CA9
SCHEMBL1293964 0.69 ALDH1A1 (0.56) GPR3MAPK1MCL1CA12CA9
SCHEMBL30729663 0.69 ALDH1A1 (0.56) GPR3MAPK1MCL1CA12CA9
SCHEMBL9171706 0.67 ALDH1A1 (0.53) MAPK1MCL1
SCHEMBL4160530 0.67 ALDH1A1 (0.43) GPR3CA9
SCHEMBL9927301 0.67 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL21234346 0.67 GPR3 (0.39) GPR3MAPK1MCL1CA12CA9
SCHEMBL3875482 0.67 ALDH1A1 (0.41) GPR3

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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH GPR3 1404/4885MAPK1 4346/4885MCL1 1367/4885

“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.