SCHEMBL12833914

SCHEMBL12833914

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4nc(-c5cccnc5)no4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ THRB P10828 2/20 0.42
▸ HPSE Q9Y251 1/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ 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
▸ TP53 P04637 2/20 0.39
▸ DGAT2 Q96PD7 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 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 0.94 TSHR (0.44) MAPTTHRBKLKB1HDAC3HDAC1
SCHEMBL12834012 0.93 NAMPT (0.43) HPSEKLKB1HDAC3HDAC1HDAC2
SCHEMBL12834183 0.90 HDAC3 (0.40) MAPTTHRBKLKB1HDAC3HDAC1
SCHEMBL14090733 0.90 HDAC6 (0.41) MAPTTHRBHPSEKLKB1HDAC3
SCHEMBL12833978 0.89 HPSE (0.42) HPSEKLKB1HDAC3HDAC1HDAC2
SCHEMBL12833828 0.88 HDAC6 (0.41) MAPTTHRBKLKB1HDAC3HDAC1
SCHEMBL12833439 0.87 NAMPT (0.44) KLKB1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833991 0.85 KDM4E (0.44) MAPTTHRBKLKB1HDAC3HDAC1
SCHEMBL12833420 0.85 KLKB1 (0.43) HPSEKLKB1HDAC3HDAC1HDAC2
SCHEMBL12833826 0.84 HDAC6 (0.41) KLKB1HDAC3HDAC1HDAC2HDAC8

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 3 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
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

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 MAPT 3154/4885THRB 2950/4885HPSE 1373/4885

“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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