SCHEMBL2171989

SCHEMBL2171989

CC(C)C(O)C(CCCCOc1ccc(Cl)cc1Cl)n1nc[nH]c1=S

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 6/20 0.40
NLRP1 Q9C000 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
S1PR4 O95977 5/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2172544 0.78 MEN1 (0.51) GAAMAPK1ALDH1A1HPGDNLRP1
SCHEMBL16179563 0.72 KMT2A (0.47) GAAALDH1A1NPC1MEN1KMT2A
SCHEMBL12336850 0.72 HSP90AB1 (0.34)
SCHEMBL1286610 0.69 GAA (0.44) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1281996 0.69 MAPT (0.51) MAPK1ALDH1A1HPGDNLRP1MAPT
SCHEMBL1281680 0.69 GAA (0.44) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1282491 0.68 GAA (0.45) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL19086744 0.67 KMT2A (0.51) GAAALDH1A1NPC1MEN1KMT2A
SCHEMBL19280768 0.67 KMT2A (0.51) GAAALDH1A1NPC1MEN1KMT2A
SCHEMBL19733283 0.67 KMT2A (0.51) GAAALDH1A1NPC1MEN1KMT2A

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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
EP-2346839-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040717-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR GAA 503/4885MAPK1 1624/4885ALDH1A1 823/4885

“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.