SCHEMBL4929290

SCHEMBL4929290

COc1ccccc1NC(=O)c1ccc(-c2ccncc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
APLNR P35414 1/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
TP53 P04637 3/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKACA P17612 1/20 0.53
GRK5 P34947 1/20 0.53
CSNK1A1 P48729 1/20 0.53

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
SCHEMBL20764015 0.86 ESRRG (0.67) SMN1; SMN2APLNRTP53MAPTGAA
SCHEMBL5224433 0.81 HDAC2 (0.61) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4928257 0.81 ESR1 (0.74) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5222427 0.80 HDAC1 (0.53) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4927962 0.78 MEN1 (0.58) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4931342 0.78 NPC1 (0.80) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4929228 0.78 SMN1; SMN2 (0.82) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8714717 0.77 GAA (0.73) SMN1; SMN2APLNRTP53MAPTGAA
SCHEMBL20189993 0.77 SMN1; SMN2 (0.72) SMN1; SMN2APLNRMAPTGAAKDM4E
SCHEMBL5238765 0.74 HDAC3 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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 SMN1; SMN2 4242/4885APLNR 3707/4885HDAC3 201/4885

“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.