SCHEMBL4702856

SCHEMBL4702856

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)O)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHEK2 O96017 2/20 0.43
PDE10A Q9Y233 6/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL1509482 0.92 CHEK2 (0.53) DHODHHDAC6CHEK2PDE4APDE4B
SCHEMBL12834513 0.91 LOXL2 (0.47) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090606 0.90 HDAC6 (0.48) DHODHLOXL2HDAC3HDAC1HDAC2
SCHEMBL14090607 0.90 CDK1 (0.44) DHODHLOXL2HDAC3HDAC1HDAC2
SCHEMBL12833800 0.89 HPSE (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834457 0.88 HDAC6 (0.47) DHODHLOXL2HDAC3HDAC1HDAC2
SCHEMBL12834192 0.88 MAPK14 (0.47) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090725 0.87 HDAC6 (0.46) DHODHLOXL2HDAC3HDAC1HDAC2
SCHEMBL14091103 0.87 PDE10A (0.48) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833992 0.87 HDAC6 (0.46) LOXL2HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 DHODH 1365/4885LOXL2 1125/4885HDAC3 911/4885

“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.