SCHEMBL4495216

SCHEMBL4495216

COc1ccc2cc(C(=O)O)c(Nc3cccc4c3CCCC4)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
P2RX7 Q99572 1/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4C Q9H3R0 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
EGFR P00533 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
SCHEMBL4478341 0.81 CDC25B (0.52) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL5207273 0.80 AKR1C3 (0.46) MEN1KMT2AKDM4EMAPTAKR1C3
SCHEMBL4490345 0.80 FABP3 (0.51) MEN1KMT2AKDM4EMAPTAKR1C3
SCHEMBL4487791 0.79 KDM4E (0.53) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL4484788 0.79 AKR1C3 (0.46) KDM4EMAPTAKR1C3AKR1C2POLB
SCHEMBL5208739 0.78 KMT2A (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4491211 0.78 ALDH1A1 (0.47) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL4482947 0.78 AKR1C3 (0.58) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL5207474 0.78 RECQL (0.50) MEN1KMT2AKDM4EMAPTP2RX7
SCHEMBL5202876 0.75 AKR1C3 (0.62) MEN1KMT2AKDM4EMAPTGAA

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 CXCR5 2673/4885MEN1 2541/4885KMT2A 3192/4885

“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.