SCHEMBL6081112

SCHEMBL6081112

NC(CCc1cc(C(=O)O)nc2c(O)cccc12)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
CTNNB1 P35222 1/20 0.37
CYP1A2 P05177 1/20 0.36
CCR6 P51684 1/20 0.35
IGFBP3 P17936 4/20 0.34
KDM4A O75164 3/20 0.34
PIM1 P11309 1/20 0.34
IGFBP5 P24593 2/20 0.33
RAB9A P51151 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
P2RX3 P56373 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL6593202 0.82 MRGPRX4 (0.46) KMT2ARAB9AMEN1
SCHEMBL6079288 0.78 KDM4E (0.51) KDM4EKMT2ACYP1A2CCR6IGFBP3
SCHEMBL6079875 0.77 CCR6 (0.35) KDM4EKMT2ACTNNB1CYP1A2CCR6
SCHEMBL6080099 0.77 KDM4E (0.47) KDM4EKMT2ACYP1A2CCR6IGFBP3
Hydrochloric Acid SCHEMBL6080927 0.76 KDM4E (0.46) KDM4EKMT2ACYP1A2CCR6IGFBP3
SCHEMBL6080167 0.75 KDM4E (0.48) KDM4EKMT2ACYP1A2CCR6IGFBP3
SCHEMBL6080477 0.75 NPC1 (0.48) KMT2AKDM4ARAB9AMEN1
SCHEMBL6081115 0.74 KDM4E (0.39) KDM4EKMT2ACTNNB1CYP1A2CCR6
SCHEMBL6080368 0.73 KDM4E (0.46) KDM4EKMT2ACYP1A2IGFBP3KDM4A
SCHEMBL6080305 0.72 BID (0.56) KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL KDM4E 1006/4885KMT2A 1384/4885CTNNB1 3709/4885

“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.