SCHEMBL6080083

SCHEMBL6080083

Nc1ccc(CCCO)c2c(O)cc(C(=O)O)nc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 3/20 0.36
CA2 P00918 1/20 0.35
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.32
DYRK2 Q92630 1/20 0.32
IGFBP3 P17936 4/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6080535 0.85 NQO2 (0.40) CA2KDM4EMAPT
SCHEMBL6080452 0.84 DHFR (0.39) IGFBP5KDM4EKMT2AMAPTTDP1
SCHEMBL6605390 0.76 FDPS (0.38) IGFBP5KDM4EKMT2ATDP1HIF1A
SCHEMBL6080062 0.76 KDM4E (0.43) IGFBP5CA2KDM4EKMT2APIM1
Hydrochloric Acid SCHEMBL6080849 0.75 FDPS (0.37) IGFBP5KDM4EKMT2ATDP1HIF1A
SCHEMBL6080409 0.75 KDM4E (0.43) IGFBP5KDM4EKMT2AIGFBP3MAPT
SCHEMBL6080736 0.75 PIK3CD (0.31)
Hydrochloric Acid SCHEMBL6081257 0.75 NQO2 (0.40) KDM4EMAPT
SCHEMBL6079930 0.75 BRD4 (0.38) KDM4EKMT2AMAPTTDP1
SCHEMBL6081171 0.74 KDM4E (0.41) IGFBP5KDM4EKMT2APIM1IGFBP3

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 6 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
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 IGFBP5 4424/4885CA2 1772/4885KDM4E 1006/4885

“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.