SCHEMBL6079942

SCHEMBL6079942

COC(=O)c1cc(C#CCNC(C)=O)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CTSB P07858 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD5 P21918 1/20 0.35
P2RY6 Q15077 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
TXNRD1 Q16881 1/20 0.35

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
SCHEMBL6080028 0.88 APP (0.41) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6079945 0.83 NQO2 (0.38) CTSBMAPK1ALDH1A1MAPTKDM4E
SCHEMBL28429375 0.83 APP (0.44) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28429377 0.82 APP (0.46) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6080639 0.82 APP (0.43) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28420997 0.82 APP (0.46) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28425288 0.79 APP (0.41) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28425581 0.79 APP (0.41) APPAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6594990 0.79 ADRA2A (0.40) APPCTSBSMN1; SMN2HTTMAPK1
SCHEMBL6594986 0.79 ADRA2A (0.40) APPCTSBSMN1; SMN2HTTMAPK1

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 APP 442/4885AKR1C4 2173/4885AKR1C3 2875/4885

“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.