SCHEMBL1375690

SCHEMBL1375690

COc1ccc2oc(C(=O)c3cccc([N+](=O)[O-])c3)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MAOB P27338 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51

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
SCHEMBL27870023 0.85 XDH (0.59) MAOBMAPTALDH1A1RAB9ANPC1
SCHEMBL1374843 0.83 CLK1 (0.71) MAOBMAPTALDH1A1RAB9ANPC1
SCHEMBL30629240 0.81 RAB9A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3377510 0.81 RAB9A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9523960 0.80 MAPT (0.61) MAOBMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7789143 0.79 MAPT (0.64) MAOBMAPTALDH1A1RAB9ANPC1
SCHEMBL31060243 0.78 FLT3 (0.71) MAPTALDH1A1TDP1KDM4E
SCHEMBL13345897 0.78 MAPT (0.69) MAOBMAPTALDH1A1RAB9ANPC1
SCHEMBL27874658 0.78 RAB9A (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31067505 0.78 MAPT (0.67) MAPTALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727578-B2 2011-07-20 JP claimed
JP-2007501232-A 2007-01-25 JP claimed
EP-1653944-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-10 EP claimed
WO-2005011670-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO claimed
US-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 US claimed

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-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, PC HDAC3 203/4885HDAC4 702/4885HDAC1 183/4885

“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.