SCHEMBL4489494

SCHEMBL4489494

COc1ccc2cc(C(=O)O)c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.60
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CSF1R P07333 2/20 0.49
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDR P35968 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
HPGDS O60760 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 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
SCHEMBL4489700 0.92 HIF1A (0.58) HIF1ANPC1RAB9ACSF1RMAPT
SCHEMBL4489260 0.90 HPGDS (0.55) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL4487073 0.88 KDM4E (0.53) HIF1ANPC1RAB9AMAPTMEN1
SCHEMBL4482160 0.85 AURKA (0.46) HIF1AMAPTKDRHPGDSCTNNB1
SCHEMBL4477510 0.85 KDM4E (0.47) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL4487160 0.85 HPGDS (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL4490500 0.84 CTNNB1 (0.51) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL4482149 0.84 KDM4E (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4484614 0.83 KDM4E (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4500058 0.83 SMN1; SMN2 (0.53) HIF1ARAB9AMAPTSMN1; SMN2MEN1

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 4369/4885NPC1 2367/4885RAB9A 1181/4885

“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.