SCHEMBL4211696

SCHEMBL4211696

CNc1nc(SC)nc(NCc2ccc(Cl)cc2Cl)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PPARG P37231 3/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GPR39 O43194 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL4207825 0.91 CD38 (0.45) CD38NPSR1HPGDMAPTLMNA
SCHEMBL4206470 0.90 PPARG (0.50) CD38NPSR1HPGDMAPTLMNA
SCHEMBL4207755 0.89 CD38 (0.45) CD38NPSR1HPGDMAPTLMNA
SCHEMBL13780296 0.86 HPGD (0.45) CD38NPSR1HPGDMAPTLMNA
SCHEMBL13780295 0.86 CD38 (0.43) CD38NPSR1HPGDMAPTLMNA
SCHEMBL4209467 0.83 PPARG (0.44) CD38NPSR1HPGDMAPTLMNA
SCHEMBL4213051 0.82 PPARG (0.54) CD38NPSR1HPGDMAPTLMNA
SCHEMBL4368506 0.81 CD38 (0.46) CD38NPSR1HPGDMAPTLMNA
SCHEMBL13780298 0.81 NPSR1 (0.44) CD38NPSR1LMNAALDH1A1MEN1
SCHEMBL4214890 0.75 CD38 (0.41) CD38NPSR1HPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 — — EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 CD38 2548/4885NPSR1 2574/4885HPGD 1929/4885

“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.

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