SCHEMBL4488271

SCHEMBL4488271

COc1ccc2cc(C(=O)O)c(NCCc3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 6/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE5A O76074 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.43
PKM P14618 1/20 0.43
PTGDR Q13258 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
SCD O00767 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4497855 0.90 PTGDR (0.51) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4478359 0.87 PTGDR (0.46) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4488036 0.87 TACR3 (0.51) MAPTRAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL4484812 0.86 PTGDR (0.46) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4487805 0.85 NFKB1 (0.48) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4486308 0.85 PGK1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4490373 0.84 CA1 (0.55) MAPTALDH1A1KMT2AKDM4E
SCHEMBL4493553 0.83 KMT2A (0.57) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4492686 0.83 CSNK2A2 (0.55) MAPTALDH1A1AKR1C3KMT2AKDM4E
SCHEMBL4491424 0.83 AKR1C3 (0.64) MAPTAKR1C3AKR1C2KMT2ASMN1; SMN2

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 MAPT 3468/4885RAB9A 1181/4885ALDH1A1 3862/4885

“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.