SCHEMBL2723391

SCHEMBL2723391

Nc1cc(C(=O)O)cc(C2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
ACMSD Q8TDX5 2/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
DDO Q99489 1/20 0.39
CREBBP Q92793 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2727410 0.98 KMO (0.58) KMOACMSDKMT2AKDM4EGLA
SCHEMBL27893460 0.87 KMO (0.65) KMOACMSDKMT2AKDM4EGLA
SCHEMBL30912307 0.87 KMO (0.70) KMOACMSDKMT2AKDM4EGLA
SCHEMBL8613401 0.85 KMO (0.68) KMOACMSDKMT2AKDM4EGLA
SCHEMBL30381502 0.85 KMO (0.41) KMOKMT2AKDM4EMEN1ALDH1A1
SCHEMBL2725078 0.85 KMO (0.41) KMOKMT2AKDM4EMEN1ALDH1A1
SCHEMBL15053766 0.83 KMO (0.40) KMOACMSDKMT2AKDM4EGLA
SCHEMBL4392929 0.80 KMO (0.55) KMOACMSDKDM4ESMN1; SMN2HIF1A
SCHEMBL15054040 0.80 ATAD2 (0.44) KMOKDM4EGLASMN1; SMN2TDP1
SCHEMBL184302 0.78 KMO (0.53) KMOACMSDKDM4ESMN1; SMN2HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2013096153-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB KMO 400/4885ACMSD 2708/4885KMT2A 968/4885

“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.