SCHEMBL1282196

SCHEMBL1282196

CC(C)(C)C(O)(CCCOc1ccccc1Cl)Cn1ncnc1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 2/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1283456 0.97 L3MBTL1 (0.39) RAB9ANPC1L3MBTL1MAPTTDP1
SCHEMBL1283213 0.96 L3MBTL1 (0.38) RAB9ANPC1L3MBTL1MAPTTDP1
SCHEMBL1282240 0.87 DHFR (0.38) RAB9ANPC1MAPTPPARGPPARD
SCHEMBL1282197 0.87 HPGD (0.41) RAB9ANPC1MAPTCYP1A2CYP2C19
SCHEMBL1282359 0.87 MAPK1 (0.40) RAB9AL3MBTL1TDP1CYP1A2CYP2C19
SCHEMBL1282785 0.85 HTR2C (0.37) MAPTHTR2CALDH1A1CYP3A4KMT2A
SCHEMBL1282273 0.84 PPARA (0.37) RAB9ANPC1MAPTPPARGPPARD
SCHEMBL1282429 0.84 HPGD (0.40) RAB9ANPC1MAPTCYP1A2CYP2C19
SCHEMBL1281724 0.84 PPARA (0.40) PPARAALDH1A1
SCHEMBL1282133 0.83 MAPK1 (0.42) RAB9AL3MBTL1TDP1CYP1A2CYP2C19

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 RAB9A 3894/4885NPC1 1947/4885L3MBTL1 3006/4885

“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.