SCHEMBL4209467

SCHEMBL4209467

CSc1nc(N)c(C(=O)O)c(NCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.44
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CD38 P28907 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ COPS5 Q92905 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4207755 0.91 CD38 (0.45) PPARGHPGDNPSR1EPHX2CD38
SCHEMBL4213051 0.89 PPARG (0.54) PPARGHPGDNPSR1CD38LMNA
SCHEMBL4206470 0.83 PPARG (0.50) PPARGHPGDNPSR1EPHX2CD38
SCHEMBL4207825 0.83 CD38 (0.45) PPARGHPGDNPSR1EPHX2CD38
SCHEMBL4211696 0.83 CD38 (0.45) PPARGHPGDNPSR1EPHX2CD38
SCHEMBL13780296 0.80 HPGD (0.45) PPARGHPGDNPSR1CD38LMNA
SCHEMBL13780295 0.80 CD38 (0.43) PPARGHPGDNPSR1EPHX2CD38
SCHEMBL4368506 0.77 CD38 (0.46) HPGDNPSR1EPHX2CD38LMNA
SCHEMBL13780321 0.76 ADORA3 (0.46) PPARGHPGDNPSR1MAPTALDH1A1
SCHEMBL13780298 0.75 NPSR1 (0.44) NPSR1CD38LMNAALDH1A1

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 2 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
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 PPARG 674/4885HPGD 1929/4885NPSR1 2574/4885

“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.

Send feedback