SCHEMBL12833946

SCHEMBL12833946

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4nnc(-c5ccccc5)o4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ROCK2 O75116 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ GRK2 P25098 1/20 0.39
▸ GUSB P08236 1/20 0.39
▸ APLNR P35414 3/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL12833503 0.88 TSHR (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833858 0.87 SMN1; SMN2 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833923 0.87 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833780 0.87 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833515 0.87 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834185 0.84 HDAC6 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091103 0.84 PDE10A (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834183 0.84 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834474 0.84 LMNA (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090685 0.84 ROCK2 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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
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
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP 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

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 HDAC3 911/4885HDAC1 826/4885HDAC2 954/4885

“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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