SCHEMBL12833972

SCHEMBL12833972

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4cccc5cccnc45)ccc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TP53 P04637 2/20 0.45
KDR P35968 3/20 0.44
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL12833992 0.93 HDAC6 (0.46) MAPTLMNATP53HDAC6HDAC3
SCHEMBL14531807 0.91 MAPT (0.44) MAPTLMNAKMT2ARAB9AMEN1
SCHEMBL12833823 0.90 MAPT (0.46) MAPTKMT2AMEN1NPC1TP53
SCHEMBL14090945 0.90 NPSR1 (0.47) MAPTLMNAKMT2ARAB9AMEN1
SCHEMBL12833771 0.90 PRSS12 (0.46) MAPTRAB9ANPC1HDAC6HDAC3
SCHEMBL14090718 0.89 MAPT (0.49) MAPTLMNAKMT2ARAB9AMEN1
SCHEMBL12833890 0.88 ADORA2A (0.42) MAPTLMNAKMT2ARAB9AMEN1
SCHEMBL14090973 0.88 HDAC6 (0.43) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833937 0.88 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090640 0.88 HDAC6 (0.44) MAPTRAB9ANPC1HDAC6HDAC3

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 MAPT 3154/4885LMNA 4192/4885KMT2A 1726/4885

“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.