SCHEMBL12833815

SCHEMBL12833815

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCc4nccc(-c5ccccc5)n4)ccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.44
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ HPSE Q9Y251 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL14090876 0.88 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833806 0.86 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834471 0.86 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833950 0.86 HDAC6 (0.47) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833838 0.86 NAMPT (0.45) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834163 0.86 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833734 0.86 THRB (0.53) NAMPTPDE10ATHRB
SCHEMBL14090792 0.86 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833439 0.86 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL14090774 0.86 KLKB1 (0.43) NAMPTHDAC3HDAC1HDAC2HDAC8

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 NAMPT 666/4885HDAC3 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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