SCHEMBL6080428

SCHEMBL6080428

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1C#CCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
PTGER1 P34995 2/20 0.38
CYP2C9 P11712 1/20 0.38
PTPN11 Q06124 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
EDNRA P25101 1/20 0.36
SYK P43405 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6079792 0.82 PTGER1 (0.41) PTGER1EDNRAHDAC3HDAC4HDAC1
SCHEMBL6080734 0.82 PTPN11 (0.40) BCHECNR2PTGER1CYP2C9PTPN11
SCHEMBL6080223 0.81 NPSR1 (0.41) BCHECNR2MEN1KMT2AHDAC3
SCHEMBL6596268 0.81 HDAC3 (0.40) BCHECNR2PTGER1CYP2C9PTPN11
SCHEMBL6080232 0.81 PTGER1 (0.43) PTGER1EDNRAADORA3ADORA2AADORA1
SCHEMBL6080272 0.81 PTGER1 (0.40) PTGER1EDNRAADORA3ADORA2AADORA1
SCHEMBL6080033 0.80 PTPN11 (0.39) BCHECNR2PTPN11MEN1KMT2A
SCHEMBL6080296 0.79 PTGER1 (0.39) PTGER1EDNRAADORA3ADORA2AADORA1
SCHEMBL6080424 0.78 BCHE (0.39) BCHECNR2PTGER1CYP2C9PTPN11
SCHEMBL24276603 0.78 PTPN11 (0.46) BCHECNR2PTGER1CYP2C9PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US 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 BCHE 289/4885CNR2 734/4885PTGER1 1819/4885

“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.