SCHEMBL2661493

SCHEMBL2661493

COC1=CC(=O)N(Cc2ccc3c(c2)OCO3)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL4923038 0.79 KMT2A (0.51) ALDH1A1TSHRSMN1; SMN2KMT2AHTT
SCHEMBL4921404 0.76 GSK3A (0.53) CMA1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL31190634 0.75 ELANE (0.48) CMA1CYP3A4ALDH1A1KMT2AL3MBTL1
SCHEMBL8912484 0.71 CMA1 (0.55) CMA1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL6855238 0.70 CMA1 (0.57) CMA1CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL1080694 0.70 CMA1 (0.76) CMA1CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL14681264 0.69 TSHR (0.64) CMA1CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL8913818 0.68 CMA1 (0.58) CMA1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28412025 0.68 CMA1 (0.57) CMA1TSHRSMN1; SMN2KMT2APKM
SCHEMBL5768481 0.67 CMA1 (0.76) CMA1ALDH1A1TSHRSMN1; SMN2KMT2A

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-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF CMA1 2821/4885TDP1 321/4885CYP3A4 304/4885

“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.

Send feedback