SCHEMBL6080356

SCHEMBL6080356

Cc1c(C(=O)O)nc2c(N)cc(C#N)cc2c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
PKMYT1 Q99640 1/20 0.32
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
SLC22A12 Q96S37 5/20 0.31
F11 P03951 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
XDH P47989 4/20 0.31
EGLN1 Q9GZT9 2/20 0.31

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
SCHEMBL6081107 0.82 KDM4E (0.41) LDHALDHBKDM4EMAPTRAB9A
SCHEMBL6080260 0.82 KDM4E (0.34) LDHALDHBKDM4EMAPTRAB9A
SCHEMBL6079524 0.82 TDP1 (0.44) LDHALDHBKDM4EMAPTRAB9A
SCHEMBL6079860 0.80 CTSB (0.41) PIN1MAPT
SCHEMBL6080024 0.80 CYP3A4 (0.38) PIN1KDM4EMAPTRAB9ATDP1
SCHEMBL6079736 0.80 DHODH (0.38) KDM4EMAPTRAB9ATDP1
SCHEMBL6079184 0.77 PIN1 (0.34) PIN1F11
SCHEMBL6080431 0.76 DHODH (0.40) PIN1KDM4EMAPT
SCHEMBL6080278 0.74 PIN1 (0.33) PIN1F11
SCHEMBL6080504 0.74 XDH (0.34) SLC22A12KDM4EMAPTRAB9ATDP1

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 PIN1 3446/4885TTR 3586/4885ALB 2810/4885

“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.