SCHEMBL12833930

SCHEMBL12833930

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4cc(C(C)C)no4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A7 Q9GZV3 10/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ GABRA5 P31644 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ LIPC P11150 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ LOXL2 Q9Y4K0 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
SCHEMBL12833737 0.90 HDAC6 (0.40) SLC5A7NPC1HDAC3HDAC1HDAC2
SCHEMBL12833826 0.89 HDAC6 (0.41) SLC5A7NPC1HDAC3HDAC1HDAC2
SCHEMBL12834003 0.88 HDAC6 (0.40) SLC5A7NPC1HDAC3HDAC1HDAC2
SCHEMBL12833770 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833753 0.88 HDAC6 (0.41) NPC1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833978 0.88 HPSE (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833828 0.87 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833488 0.85 HDAC6 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833958 0.85 KLKB1 (0.43) NPC1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833858 0.84 SMN1; SMN2 (0.48) 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 6 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
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 SLC5A7 4730/4885NPC1 2983/4885HDAC3 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.

Send feedback