SCHEMBL12507342

SCHEMBL12507342

COc1cccc(CNC(=S)NNC(=O)c2ccc3[nH]nc(Cl)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ROCK2 O75116 11/20 0.50
▸ MMP13 P45452 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PRKACA P17612 2/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PRKACB P22694 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ROCK1 Q13464 5/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PRKX P51817 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL12907153 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ROCK2MMP13MAPTLMNA
SCHEMBL12506920 0.76 ROCK2 (0.51) SMN1; SMN2ROCK2MMP13MAPTLMNA
SCHEMBL7956446 0.71 ROCK2 (0.57) SMN1; SMN2ROCK2MMP13MAPTLMNA
SCHEMBL5510186 0.70 ALDH1A1 (0.79) SMN1; SMN2ROCK2MMP13LMNAHPGD
SCHEMBL3815751 0.70 SMN1; SMN2 (0.72) SMN1; SMN2MMP13MAPTLMNAHPGD
SCHEMBL2858985 0.70 GAA (0.60) SMN1; SMN2ROCK2PRKACAMAPK3MAPK1
SCHEMBL7979377 0.70 MAPK1 (0.50) MAPK3MAPK1
SCHEMBL5952802 0.70 SMN1; SMN2 (0.61) SMN1; SMN2ROCK2MMP13MAPK3MAPK1
SCHEMBL4124726 0.70 ROCK2 (0.53) SMN1; SMN2ROCK2MMP13MAPTPRKACA
SCHEMBL5418304 0.70 ROCK2 (0.83) SMN1; SMN2ROCK2MMP13LMNAHPGD

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
EP-2102197-B1 5-([1,3,4]OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4]THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2011-07-13 — — EP disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US disclosed
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US disclosed
WO-2008086854-A1 5-([1,3,4] OXADIAZOL-2-YL)-1H-INDAZOL AND 5-([1,3,4] THIADIAZOL-2-YL)-1H-INDAZOL DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2008-07-24 — — WO 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-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES SGK2, SGK1, SGK3 SMN1; SMN2 4581/4885ROCK2 1210/4885MMP13 2963/4885

“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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