SCHEMBL5525815

SCHEMBL5525815

COc1ccc(-c2cc(C(=O)O)c3cccc(O)c3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.65
CCR6 P51684 1/20 0.60
MAPT P10636 5/20 0.59
KDM4E B2RXH2 4/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 5/20 0.53
PLA2G2A P14555 1/20 0.52
DHODH Q02127 1/20 0.52
POLB P06746 2/20 0.51
HTT P42858 1/20 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
SCHEMBL8240705 0.87 CCR6 (0.62) PDE10ACCR6KDM4ELMNAALDH1A1
SCHEMBL13958056 0.86 CCR6 (0.68) PDE10ACCR6KDM4ERAB9ALMNA
SCHEMBL3234823 0.86 AURKA (0.65) PDE10AMAPTKDM4ERAB9ANPC1
SCHEMBL28019600 0.85 CCR6 (0.67) PDE10ACCR6KDM4ERAB9ALMNA
SCHEMBL23590310 0.85 AURKA (0.63) PDE10AMAPTKDM4ERAB9ANPC1
SCHEMBL29617660 0.85 AURKA (0.63) PDE10AMAPTKDM4ERAB9ANPC1
SCHEMBL116026 0.81 KDM4E (0.85) PDE10AMAPTKDM4ERAB9ANPC1
SCHEMBL8616292 0.79 PDE10A (1.00) PDE10ACCR6MAPTKDM4ERAB9A
SCHEMBL7823061 0.75 KDM4E (0.79) MAPTKDM4ERAB9ANPC1LMNA
SCHEMBL5529440 0.75 MAPT (0.64) PDE10AMAPTKDM4ERAB9ANPC1

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 PDE10A 579/4885CCR6 4383/4885MAPT 1841/4885

“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.