SCHEMBL12833780

SCHEMBL12833780

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4nnc(-c5ccccc5)[nH]4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FLT3 P36888 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
SCHEMBL12833858 0.90 SMN1; SMN2 (0.48) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12834250 0.88 GUSB (0.45) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090684 0.87 HPGDS (0.43) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12833946 0.87 HDAC3 (0.46) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12834185 0.87 HDAC6 (0.40) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14091103 0.87 PDE10A (0.48) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12833849 0.87 TSHR (0.44) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12833786 0.87 KLKB1 (0.42) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL14090551 0.86 TSHR (0.54) HDAC6TSHRMAPK10HPSEPDE10A
SCHEMBL12834474 0.86 LMNA (0.49) HDAC6HDAC3HDAC1HDAC8HDAC2

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 HDAC6 541/4885HDAC3 911/4885HDAC1 826/4885

“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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