SCHEMBL14090541

SCHEMBL14090541

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NC4CCC(OC)CC4)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
MAPK14 Q16539 3/20 0.45
CARM1 Q86X55 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
FLT3 P36888 1/20 0.42
RIPK1 Q13546 1/20 0.42
CHEK1 O14757 1/20 0.42
TBK1 Q9UHD2 2/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14090456 0.93 FLT3 (0.48) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL14090579 0.92 FGFR1 (0.51) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL12834192 0.90 MAPK14 (0.47) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL14090548 0.88 CARM1 (0.45) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL14090528 0.88 HDAC6 (0.44) HDAC6CARM1HDAC3HDAC1HDAC2
SCHEMBL12833757 0.87 SMN1; SMN2 (0.45) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL14091701 0.87 FLT3 (0.49) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL12833745 0.87 SMN1; SMN2 (0.47) HDAC6MAPK14CARM1HDAC3HDAC1
SCHEMBL1509513 0.86 CHEK2 (0.55) HDAC6CARM1HDAC3HDAC1HDAC2
SCHEMBL1509594 0.85 HDAC6 (0.50) HDAC6CARM1HDAC3HDAC1HDAC2

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 HDAC6 541/4885MAPK14 414/4885CARM1 785/4885

“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.