SCHEMBL4932455

SCHEMBL4932455

O=C(NCCc1ccc(Br)cc1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 5/20 0.62
HDAC2 Q92769 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
ACKR3 P25106 5/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL4931299 0.91 HDAC6 (0.64) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4929439 0.89 HDAC2 (0.58) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4929313 0.88 AKT3 (0.62) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4927704 0.88 AKT3 (0.62) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4926727 0.88 NPC1 (0.59) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4929437 0.88 HDAC1 (0.63) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4923388 0.88 ACKR3 (0.67) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4931503 0.87 HDAC3 (0.56) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4929057 0.85 ACKR3 (0.57) AKT3HDAC2HDAC8HDAC6HDAC3
SCHEMBL4928129 0.84 KMT2A (0.65) AKT3HDAC2HDAC8HDAC6HDAC3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AKT3 1872/4885HDAC2 355/4885HDAC8 613/4885

“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.