SCHEMBL712337

SCHEMBL712337

CC(C)Oc1cc(OC(C)C)cc(-c2nc3cc(C(=O)O)cnc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GCK P35557 17/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL712331 0.89 GCK (0.57) GCKRARARARBRARGKMT2A
SCHEMBL710162 0.87 GCK (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL711135 0.85 PKN1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL712144 0.84 GCK (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10206513 0.83 GCK (0.56) GCKRARARARBRARGKMT2A
SCHEMBL710776 0.82 MCL1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL711368 0.82 XDH (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL710573 0.79 GCK (0.52) GCKKMT2A
SCHEMBL709520 0.79 GCK (0.49) GCKKMT2A
SCHEMBL712755 0.78 MEN1 (0.53) GCKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK HDAC3 683/4885HDAC1 956/4885HDAC2 883/4885

“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.