SCHEMBL4489260

SCHEMBL4489260

COc1ccc2cc(C(=O)O)c(NCc3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
EGFR P00533 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TACR3 P29371 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL4487073 0.94 KDM4E (0.53) HPGDSEGFRNPC1RAB9ATP53
SCHEMBL4500058 0.93 SMN1; SMN2 (0.53) HPGDSEGFRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4487160 0.91 HPGDS (0.47) HPGDSEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL4477510 0.91 KDM4E (0.47) HPGDSEGFRSMN1; SMN2TP53ALDH1A1
SCHEMBL4490500 0.90 CTNNB1 (0.51) HPGDSLMNAKDM4EMAPTASPH
SCHEMBL4482149 0.90 KDM4E (0.47) HPGDSEGFRNPC1RAB9AKDM4E
SCHEMBL4489494 0.90 HIF1A (0.60) HPGDSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4496183 0.89 LMNA (0.46) HPGDSEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL4484547 0.89 APP (0.48) HPGDSEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL4501469 0.89 APEX1 (0.49) HPGDSEGFRSMN1; SMN2LMNAMAPK1

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 HPGDS 2702/4885EGFR 4215/4885NPC1 2367/4885

“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.