SCHEMBL2127410

SCHEMBL2127410

CC(C)(C)C(O)(CCCc1ccc(F)cc1F)Cn1nc[nH]c1=S

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.34
PAK4 O96013 1/20 0.34
MAOB P27338 1/20 0.31
RIPK1 Q13546 2/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
CYP51A1 Q16850 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL1284057 0.95 PLK4 (0.34) PLK4PAK4MAOBRIPK1LMNA
SCHEMBL2127270 0.84 ALDH1A1 (0.37) HSP90AA1CYP3A4CYP19A1
SCHEMBL2127428 0.84 KDM4E (0.32)
SCHEMBL1282025 0.83 TRPA1 (0.32) LMNA
SCHEMBL2126333 0.83 KDM4E (0.31)
SCHEMBL2132389 0.82 PLK4 (0.34) PLK4PAK4
SCHEMBL1282138 0.82 TRPA1 (0.32)
SCHEMBL1282032 0.82 TRPA1 (0.31)
SCHEMBL2125926 0.81 ALDH1A1 (0.30) CYP3A4
SCHEMBL1283973 0.81 ALDH1A1 (0.43) CYP3A4CYP19A1

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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-05-03 US disclosed
EP-2443097-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
WO-2010146111-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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 PLK4 1648/4885PAK4 1980/4885MAOB 1371/4885

“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.