SCHEMBL4926727

SCHEMBL4926727

Cc1ccc(CCNC(=O)c2ccc(-c3ccncc3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ACKR3 P25106 3/20 0.56
ALDH1A1 P00352 1/20 0.52
AKT3 Q9Y243 5/20 0.51
MAPT P10636 3/20 0.51
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49

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) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4929439 0.89 HDAC2 (0.58) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4927704 0.88 AKT3 (0.62) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4932455 0.88 AKT3 (0.62) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4929313 0.88 AKT3 (0.62) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4922556 0.88 HDAC3 (0.59) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4923388 0.88 ACKR3 (0.67) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4919672 0.87 ACKR3 (0.59) NPC1RAB9ASMN1; SMN2HDAC1HDAC3
SCHEMBL4929057 0.87 ACKR3 (0.57) NPC1SMN1; SMN2HDAC1HDAC3HDAC4
SCHEMBL4927968 0.85 MAPT (0.54) NPC1RAB9ASMN1; SMN2HDAC1HDAC3

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 NPC1 204/4885RAB9A 1684/4885SMN1; SMN2 4242/4885

“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.