SCHEMBL4486500

SCHEMBL4486500

COc1ccc2cc(C(=O)Nc3ccccc3)c(Nc3ccccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.51
TOP1 P11387 2/20 0.49
MT-CO2 P00403 1/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 5/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
SENP8 Q96LD8 1/20 0.49
RAB9A P51151 4/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
AVPR2 P30518 1/20 0.47

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
SCHEMBL13973637 0.93 NPC1 (0.58) TOP1MT-CO2PTGS2NPC1CASP3
SCHEMBL13961569 0.89 NPC1 (0.46) TOP1NPC1CASP3SENP7SENP6
SCHEMBL4490345 0.88 FABP3 (0.51) NPC1CASP3SENP7SENP6POLB
SCHEMBL13973657 0.88 MAPT (0.48) TOP1PTGS2NPC1CASP3SENP7
SCHEMBL4476369 0.85 HTT (0.46) NPC1POLBRAB9AMAPTKDM4E
SCHEMBL13973636 0.85 MAPK10 (0.51) NPC1CASP3SENP7SENP6POLB
SCHEMBL13973635 0.84 NPC1 (0.59) TOP1NPC1CASP3SENP7SENP6
SCHEMBL13973658 0.82 MAPT (0.43) NPC1CASP3SENP7SENP6POLB
SCHEMBL13973638 0.82 MAPT (0.43) TOP1NPC1CASP3SENP7SENP6
SCHEMBL13973659 0.82 MAPT (0.44) NPC1CASP3SENP7SENP6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 TACR3 1521/4885TOP1 974/4885MT-CO2 2558/4885

“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.