SCHEMBL1282998

SCHEMBL1282998

CC(C)(C)C(O)(CCCCOc1ccccc1Cl)Cn1nc[nH]c1=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTR2C P28335 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
IDO1 P14902 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 1/20 0.33
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1282504 0.99 L3MBTL1 (0.37) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL1286610 0.88 GAA (0.44) MAPTCYP1A2CYP2C19TSHRNPC1
SCHEMBL1283316 0.88 L3MBTL1 (0.40) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL1281680 0.87 GAA (0.44) MAPTCYP1A2CYP2C19TSHRNPC1
SCHEMBL1282484 0.87 L3MBTL1 (0.39) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL1281750 0.85 DHFR (0.37) NPC1RAB9APPARGPPARDPPARA
SCHEMBL1282491 0.84 GAA (0.45) MAPTCYP1A2CYP2C19TSHRNPC1
SCHEMBL2126352 0.83 ALDH1A1 (0.33) L3MBTL1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1282373 0.83 FDPS (0.37) PPARAHRH3ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2127221 0.82 HSP90AA1 (0.36) L3MBTL1ALDH1A1CYP3A4MEN1KMT2A

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 L3MBTL1 3006/4885MAPT 1824/4885TDP1 3127/4885

“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.