SCHEMBL6080504

SCHEMBL6080504

N#Cc1cc(N)c2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.34
SLC22A12 Q96S37 5/20 0.34
IGFBP3 P17936 2/20 0.34
GPR35 Q9HC97 2/20 0.34
IGFBP5 P24593 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL6080353 0.84 NQO2 (0.41) GPR35KDM4EMAPT
SCHEMBL6592548 0.80 IGFBP3 (0.40) IGFBP3GPR35IGFBP5KDM4EMAPT
SCHEMBL6079960 0.80 GPR35 (0.38) IGFBP3GPR35IGFBP5KDM4EMAPT
Hydrochloric Acid SCHEMBL6079789 0.79 IGFBP3 (0.40) IGFBP3GPR35IGFBP5KDM4EMAPT
SCHEMBL6591416 0.79 VCAM1 (0.43) IGFBP3MAPTKMT2A
SCHEMBL6591421 0.79 VCAM1 (0.43) IGFBP3MAPTKMT2A
SCHEMBL6080671 0.78 GPR35 (0.43) IGFBP3GPR35IGFBP5KDM4EMAPT
SCHEMBL6598349 0.78 GPR35 (0.39) IGFBP3GPR35IGFBP5KDM4EMAPT
SCHEMBL6080512 0.78 GPR35 (0.43) IGFBP3GPR35IGFBP5KDM4EMAPT
SCHEMBL6591404 0.75 GPR35 (0.35) XDHGPR35KDM4EMAPTRAB9A

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 4 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
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 XDH 128/4885SLC22A12 2041/4885IGFBP3 4812/4885

“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.