SCHEMBL4493680

SCHEMBL4493680

COc1ccc2cc(C(=O)O)c(NCc3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.56
RPS6KB1 P23443 3/20 0.52
AURKA O14965 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
APP P05067 1/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
SCD O00767 3/20 0.45
VNN1 O95497 1/20 0.44

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
SCHEMBL4500058 0.89 SMN1; SMN2 (0.53) RPS6KB1AURKAMEN1KMT2AAPP
SCHEMBL4489260 0.86 HPGDS (0.55) KDM4EAPPUSP2VNN1
SCHEMBL4496183 0.85 LMNA (0.46) RPS6KB1AURKAMEN1KMT2AAPP
SCHEMBL4501469 0.85 APEX1 (0.49) MEN1KMT2AAKR1C3AKR1C2APP
SCHEMBL4484547 0.85 APP (0.48) RPS6KB1AURKAMEN1KMT2AKDM4E
SCHEMBL4487073 0.83 KDM4E (0.53) MEN1KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL4492223 0.82 CCR9 (0.47) MEN1KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL4489700 0.82 HIF1A (0.58) MITFRPS6KB1AURKAMEN1KMT2A
SCHEMBL4482214 0.82 AURKA (0.49) RPS6KB1AURKAAPP
SCHEMBL4481882 0.81 AURKA (0.51) RPS6KB1AURKAMEN1KMT2AKDM4E

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-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
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 MITF 751/4885RPS6KB1 296/4885AURKA 235/4885

“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.