SCHEMBL13780296

SCHEMBL13780296

COc1nc(SC)nc(NCc2ccc(Cl)cc2Cl)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CD38 P28907 1/20 0.43
▸ PPARG P37231 2/20 0.41
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EIF2AK1 Q9BQI3 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL4206470 0.87 PPARG (0.50) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4207755 0.86 CD38 (0.45) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4211696 0.86 CD38 (0.45) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4207825 0.86 CD38 (0.45) HPGDNPSR1CD38PPARGLMNA
SCHEMBL13780295 0.84 CD38 (0.43) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4209467 0.80 PPARG (0.44) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4213051 0.80 PPARG (0.54) HPGDNPSR1CD38PPARGLMNA
SCHEMBL4368506 0.79 CD38 (0.46) HPGDNPSR1CD38LMNAMAPT
SCHEMBL13780298 0.78 NPSR1 (0.44) NPSR1CD38LMNAP2RX7ALDH1A1
SCHEMBL13780321 0.73 ADORA3 (0.46) HPGDNPSR1PPARGMAPTALDH1A1

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 3 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
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 HPGD 1929/4885NPSR1 2574/4885CD38 2548/4885

“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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