SCHEMBL3615833

SCHEMBL3615833

CCOC(=O)c1cc(Cl)c(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.52
HTR4 Q13639 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
HTR3A P46098 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B2 P37059 1/20 0.46

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
SCHEMBL6584127 0.92 HTR4 (0.53) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL1744462 0.86 GAA (0.72) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL11310863 0.86 KMT2A (0.50) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL19554259 0.86 HTR4 (0.55) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL2900687 0.86 KMT2A (0.65) KMT2AGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL27455432 0.85 HSD17B2 (0.59) KMT2AGAAALDH1A1CYP3A4TSHR
SCHEMBL11311943 0.84 HTR4 (0.51) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL5925569 0.83 HTT (0.52) KMT2AGAAHTR4ALDH1A1CYP1A2
SCHEMBL10627425 0.83 KDM4E (0.53) GAAHTR4ALDH1A1CYP1A2CYP3A4
SCHEMBL10987957 0.83 CYP4F2 (0.48) KMT2AGAAHTR4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 KMT2A 3495/4885GAA 4007/4885HTR4 271/4885

“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.