SCHEMBL1281680

SCHEMBL1281680

CC(C)(C)C(O)(CCCCCOc1ccc(Cl)cc1Cl)Cn1nc[nH]c1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

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 7/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
S1PR4 O95977 5/20 0.36
TSHR P16473 2/20 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
NLRP1 Q9C000 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
SCHEMBL1286610 0.99 GAA (0.44) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1282491 0.96 GAA (0.45) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1283158 0.90 S1PR4 (0.34) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1282504 0.88 L3MBTL1 (0.37) MAPK1ALDH1A1HPGDNPC1RAB9A
SCHEMBL1282998 0.87 L3MBTL1 (0.38) MAPK1ALDH1A1HPGDNPC1RAB9A
SCHEMBL1282373 0.87 FDPS (0.37) ALDH1A1SMN1; SMN2
SCHEMBL1281750 0.86 DHFR (0.37) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1282493 0.86 GAA (0.35) GAAMAPK1ALDH1A1NPSR1HPGD
SCHEMBL1282821 0.84 HRH3 (0.39) ALDH1A1KMT2A
SCHEMBL1282492 0.83 HRH3 (0.38) MAPK1ALDH1A1LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 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 (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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 GAA 777/4885MAPK1 3145/4885ALDH1A1 1943/4885

“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.