SCHEMBL1509489

SCHEMBL1509489

CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5nc6ccccc6[nH]5)[nH]c4c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HPSE Q9Y251 5/20 0.52
ACHE P22303 1/20 0.51
CHEK1 O14757 2/20 0.51
CDK1 P06493 1/20 0.51
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
MMP2 P08253 2/20 0.48

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
SCHEMBL1509488 0.94 HPSE (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091421 0.87 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091376 0.87 HDAC6 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090362 0.86 F2 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091393 0.86 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091459 0.85 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090343 0.85 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090243 0.85 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14091346 0.85 HDAC6 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14115795 0.85 HDAC6 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6

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 6 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-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 HDAC3 911/4885HDAC1 826/4885HDAC2 954/4885

“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.