SCHEMBL2722206

SCHEMBL2722206

O=C(O)Cc1ccc2c(=O)oc(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ F2 P00734 1/20 0.47
▸ CFD P00746 1/20 0.47
▸ MAOA P21397 6/20 0.44
▸ MAOB P27338 6/20 0.44
▸ AKR1B1 P15121 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL19304158 0.88 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9131214 0.81 NOS1 (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10342829 0.80 F2 (0.51) F2CFDMAOAMAOBACHE
SCHEMBL17316696 0.78 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10343101 0.77 F2 (0.49) F2CFDMAOAMAOBACHE
SCHEMBL2383357 0.76 PARP1 (0.54) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL10342828 0.76 F2 (0.47) MAPTMEN1KMT2AF2CFD
SCHEMBL19304159 0.75 MAOA (0.42) KDM4EALDH1A1HPGDHSD17B10F2
SCHEMBL2731175 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10343133 0.75 F2 (0.46) F2CFDMAOAMAOBACHE

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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 — — US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 — — EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 — — 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 KDM4E 3685/4885ALDH1A1 4185/4885MAPT 1060/4885

“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.

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