SCHEMBL11994166

SCHEMBL11994166

CCCCc1scnc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
ATP4A P20648 7/20 0.41
ATP4B P51164 7/20 0.41
HSD11B1 P28845 1/20 0.40
SOAT1 P35610 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8403092 0.95 GPR84 (0.49) GPR84ATP4AATP4BHSD11B1SOAT1
SCHEMBL2090209 0.83 PPARG (0.36) GPR84ATP4AATP4BMAPTALDH1A1
SCHEMBL23072120 0.82 ALDH1A1 (0.50) ATP4AATP4BMAPTALDH1A1
SCHEMBL2090690 0.81 PPARG (0.35) GPR84ATP4AATP4BMAPTALDH1A1
SCHEMBL17085864 0.75 DPP4 (0.43) MAPTALDH1A1
SCHEMBL14395686 0.74 CALM1 (0.39) ALDH1A1
SCHEMBL468178 0.73 GPR84 (0.43) GPR84ATP4AATP4BHSD11B1SOAT1
SCHEMBL11994177 0.72 ATP4A (0.58) ATP4AATP4BMAPTALDH1A1NPSR1
SCHEMBL11994165 0.72 ALDH1A1 (0.47) GPR84ATP4AATP4BMAPTALDH1A1
SCHEMBL10475629 0.71 ALDH1A1 (0.71) GPR84ATP4AATP4BMAPTALDH1A1

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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 GPR84 623/4885ATP4A 2125/4885ATP4B 2231/4885

“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.