SCHEMBL4448205

SCHEMBL4448205

CNC(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.50
S1PR3 Q99500 3/20 0.48
S1PR1 P21453 2/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GRN P28799 4/20 0.44
SORT1 Q99523 4/20 0.44
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4448201 1.00 GPR139 (0.50) GPR139S1PR3S1PR1ALDH1A1GAA
SCHEMBL4456911 0.88 KDM4E (0.55) GPR139S1PR3ALDH1A1GAAKDM4E
SCHEMBL4456912 0.88 KDM4E (0.55) GPR139S1PR3ALDH1A1GAAKDM4E
SCHEMBL4450252 0.82 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4450260 0.82 NPC1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL4452596 0.82 L3MBTL1 (0.44) ALDH1A1GAASMN1; SMN2
SCHEMBL4452601 0.82 L3MBTL1 (0.44) ALDH1A1GAASMN1; SMN2
SCHEMBL4445032 0.81 HPGDS (0.59) ALDH1A1GAASMN1; SMN2
SCHEMBL4445027 0.81 HPGDS (0.59) ALDH1A1GAASMN1; SMN2
SCHEMBL4448270 0.80 ADAM17 (0.50) KDM4E

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-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I GPR139 298/4885S1PR3 4723/4885S1PR1 4572/4885

“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.