SCHEMBL2947686

SCHEMBL2947686

COc1ccc(NC(=S)Nc2cscc2C)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 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
SCHEMBL4576401 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL2958478 0.77 NPSR1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTL3MBTL1
SCHEMBL5635601 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2951160 0.75 MAPT (0.37) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2953456 0.74 HPGD (0.45) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2959879 0.73 ALDH1A1 (0.42) ALDH1A1NPC1GAA
SCHEMBL2959960 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1MAPTL3MBTL1
SCHEMBL978331 0.72 GAA (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2951297 0.71 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2951453 0.70 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-7488746-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 US disclosed
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-7317033-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-20 US disclosed
US-7049333-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-23 US disclosed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 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 (4 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-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, CPS1, TST ALDH1A1 429/4885HPGD 549/4885SMN1; SMN2 691/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP ALDH1A1 386/4885HPGD 659/4885SMN1; SMN2 780/4885
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, TST, PNLIP ALDH1A1 400/4885HPGD 677/4885SMN1; SMN2 694/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP ALDH1A1 400/4885HPGD 677/4885SMN1; SMN2 694/4885

“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.