SCHEMBL14090945

SCHEMBL14090945

COc1ccccc1NC(=O)c1ccc2[nH]c(-c3cc(-c4cccnc4OC)ccc3O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
HPSE Q9Y251 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
AHR P35869 1/20 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
LMNA P02545 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMO Q99835 1/20 0.43
PDE4D Q08499 1/20 0.43
ADORA2A P29274 1/20 0.42

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) HPSEHDAC6TP53MAPTHDAC3
SCHEMBL14090785 0.93 SMO (0.49) NPSR1HPSEHDAC6AHRHDAC3
SCHEMBL12833823 0.92 MAPT (0.46) NPSR1HPSENPC1MEN1KMT2A
SCHEMBL12834512 0.91 KDM4E (0.48) HPSENPC1RAB9AMEN1KMT2A
SCHEMBL14090731 0.91 MAPT (0.45) NPSR1HPSEMEN1KMT2AHDAC6
SCHEMBL12833771 0.91 PRSS12 (0.46) HPSENPC1RAB9AHDAC6MAPT
SCHEMBL12833885 0.91 MAPK1 (0.45) NPSR1HPSEMEN1KMT2AHDAC6
SCHEMBL14090718 0.91 MAPT (0.49) HPSENPC1RAB9AMEN1KMT2A
SCHEMBL12834233 0.90 HPSE (0.46) NPSR1HPSEHDAC6MAPTHDAC3
SCHEMBL12833972 0.90 MAPT (0.52) NPC1RAB9AMEN1KMT2AHDAC6

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
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-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 NPSR1 3100/4885HPSE 1373/4885NPC1 2983/4885

“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.