SCHEMBL6080643

SCHEMBL6080643

Cc1c(C(=O)O)nc2c([N+](=O)[O-])cccc2c1C#CCOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MMP2 P08253 2/20 0.36
MMP12 P39900 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
EIF4A1 P60842 1/20 0.35
KLK3 P07288 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
POLB P06746 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL6616134 0.88 MMP2 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL6079792 0.83 PTGER1 (0.41) ALDH1A1SMN1; SMN2MMP2MMP12MAPK1
SCHEMBL6080932 0.81 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL6596248 0.79 MMP2 (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL6596253 0.79 MMP2 (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL6080033 0.78 PTPN11 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6080639 0.76 APP (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL6079948 0.75 TSHR (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6080296 0.73 PTGER1 (0.39) MAPK1TDP1L3MBTL1
Benzene SCHEMBL6595147 0.73 PIN1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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 KMT2A 1384/4885MEN1 740/4885ALDH1A1 2726/4885

“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.