SCHEMBL4489700

SCHEMBL4489700

COc1ccc2cc(C(=O)O)c(NCc3cccc(NC(=O)Nc4ccccc4)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.58
AURKA O14965 3/20 0.51
RPS6KB1 P23443 3/20 0.51
PDPK1 O15530 1/20 0.51
KDR P35968 2/20 0.50
RET P07949 1/20 0.50
AURKB Q96GD4 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CSF1R P07333 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL4489494 0.92 HIF1A (0.60) HIF1AAURKAKDRTP53TSHR
SCHEMBL4482214 0.90 AURKA (0.49) HIF1AAURKARPS6KB1PDPK1AURKB
SCHEMBL4500058 0.88 SMN1; SMN2 (0.53) HIF1AAURKARPS6KB1TSHRSMN1; SMN2
SCHEMBL4489260 0.88 HPGDS (0.55) TP53TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL4481882 0.87 AURKA (0.51) HIF1AAURKARPS6KB1PDPK1AURKB
SCHEMBL4496183 0.84 LMNA (0.46) HIF1AAURKARPS6KB1SMN1; SMN2NPC1
SCHEMBL4484547 0.84 APP (0.48) HIF1AAURKARPS6KB1SMN1; SMN2NPC1
SCHEMBL4501469 0.84 APEX1 (0.49) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4487073 0.82 KDM4E (0.53) HIF1ATP53NPC1RAB9AMEN1
SCHEMBL4493680 0.82 MITF (0.56) AURKARPS6KB1MEN1KMT2APOLB

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 HIF1A 4369/4885AURKA 235/4885RPS6KB1 296/4885

“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.