SCHEMBL4486558

SCHEMBL4486558

COc1ccc2cc(C(=O)O)c(NC3Cc4ccccc4C3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGDS O60760 6/20 0.42
POLB P06746 5/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4484697 0.84 HPGDS (0.54) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4482947 0.79 AKR1C3 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5207273 0.76 AKR1C3 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4489260 0.76 HPGDS (0.55) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5208486 0.75 AKR1C3 (0.50) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL4495216 0.74 CXCR5 (0.46) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL4490345 0.74 FABP3 (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4488036 0.74 TACR3 (0.51) KDM4ENPC1RAB9AMAPTATM
SCHEMBL4496284 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL4487533 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1RAB9A

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 KDM4E 1641/4885ALDH1A1 3862/4885HPGD 3067/4885

“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.