SCHEMBL1281900

SCHEMBL1281900

CC(C)(C)C(O)(CCCCOc1ccc(F)cc1)Cn1ncnc1S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
FDPS P14324 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
DRD4 P21917 2/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL1282110 0.99 HTT (0.36) USP2ALDH1A1HPGDFDPSKDM4E
SCHEMBL1282957 0.97 FDPS (0.37) USP2ALDH1A1HPGDFDPSKDM4E
SCHEMBL1282118 0.90 ALDH1A1 (0.40) ALDH1A1FDPSMEN1KMT2AHRH3
SCHEMBL1281563 0.89 PPARA (0.36) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL1282173 0.89 ALDH1A1 (0.39) ALDH1A1FDPSHRH3PPARA
SCHEMBL1282635 0.88 KCNA3 (0.38) FDPSPPARA
SCHEMBL1283733 0.86 PPARA (0.41) ALDH1A1HPGDFDPSSMN1; SMN2HTT
SCHEMBL2127572 0.85 ALDH1A1 (0.40) ALDH1A1DRD2DRD3SIGMAR1HTR1A
SCHEMBL1281730 0.85 HSP90AB1 (0.32) ALDH1A1HPGDMEN1LMNAKMT2A
SCHEMBL1281724 0.85 PPARA (0.40) ALDH1A1FDPSPPARA

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
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 US disclosed
WO-2010146112-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 USP2 2625/4885ALDH1A1 1943/4885HPGD 3783/4885

“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.