SCHEMBL12834012

SCHEMBL12834012

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCc4nc(-c5cccnc5)no4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.43
▸ HPSE Q9Y251 1/20 0.41
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ PKM P14618 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 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
SCHEMBL12833439 0.94 NAMPT (0.44) NAMPTHDAC1HDAC2HDAC8HDAC3
SCHEMBL12833914 0.93 MAPT (0.42) NAMPTHPSEHDAC1HDAC2HDAC8
SCHEMBL14090703 0.90 NAMPT (0.43) NAMPTHDAC1HDAC2HDAC8HDAC3
SCHEMBL12833975 0.88 TLR7 (0.49) NAMPTTLR7
SCHEMBL12833503 0.87 TSHR (0.44) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL12833978 0.85 HPSE (0.42) NAMPTHPSEHDAC1HDAC2HDAC8
SCHEMBL12833767 0.84 PIK3CA (0.46) NAMPTHPSEHDAC1HDAC2HDAC8
SCHEMBL12833838 0.83 NAMPT (0.45) NAMPTHDAC1HDAC2HDAC8HDAC3
SCHEMBL12834471 0.83 NAMPT (0.46) NAMPTHDAC1HDAC2HDAC8HDAC3
SCHEMBL12833950 0.83 HDAC6 (0.47) NAMPTHPSEHDAC1HDAC2HDAC8

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 NAMPT 666/4885HPSE 1373/4885HDAC1 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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