SCHEMBL12833503

SCHEMBL12833503

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCc4nc(-c5ccccc5)no4)ccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ MAPT P10636 6/20 0.44
▸ THRB P10828 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 3/20 0.42
▸ 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
▸ LMNA P02545 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL12833914 0.94 MAPT (0.42) TSHRMAPTTHRBHTTALDH1A1
SCHEMBL12833439 0.93 NAMPT (0.44) TSHRKMT2AHDAC3HDAC1HDAC2
SCHEMBL12834183 0.93 HDAC3 (0.40) TSHRMAPTTHRBHTTTP53
SCHEMBL14090733 0.90 HDAC6 (0.41) MAPTTHRBTP53HDAC3HDAC1
SCHEMBL12833828 0.89 HDAC6 (0.41) TSHRMAPTTHRBALDH1A1TP53
SCHEMBL12833858 0.88 SMN1; SMN2 (0.48) TP53HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833923 0.88 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833946 0.88 HDAC3 (0.46) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833991 0.87 KDM4E (0.44) TSHRMAPTTHRBALDH1A1HDAC3
SCHEMBL12834012 0.87 NAMPT (0.43) HTTALDH1A1HDAC3HDAC1HDAC2

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 4 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
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 TSHR 2915/4885MAPT 3154/4885THRB 2950/4885

“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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