SCHEMBL6079550

SCHEMBL6079550

Cc1c(C(=O)O)nc2c(C#N)cc(-c3ccccc3)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.41
XDH P47989 3/20 0.41
KDM5B Q9UGL1 2/20 0.40
EGLN2 Q96KS0 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
F11 P03951 1/20 0.38
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGFR P43088 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL6080506 0.82 P2RX3 (0.43) KDM5BEGLN2EGLN1ALDH1A1KDM4E
SCHEMBL6080431 0.81 DHODH (0.40) PIN1ALDH1A1KDM4EGAALMNA
SCHEMBL6080139 0.81 DHODH (0.36) PIN1F11ALDH1A1KDM4EPTGFR
SCHEMBL6080122 0.81 SLC22A12 (0.37) PIN1XDHKDM5BKDM4AALDH1A1
SCHEMBL6081306 0.79 PDE10A (0.45) PIN1ALDH1A1KDM4EDHODH
SCHEMBL6079864 0.79 XDH (0.36) PIN1XDHF11ALDH1A1KDM4E
SCHEMBL6079184 0.79 PIN1 (0.34) PIN1F11
SCHEMBL6079333 0.77 CRHBP (0.52) PTGFRDHODH
SCHEMBL6080278 0.76 PIN1 (0.33) PIN1F11
SCHEMBL6080290 0.76 MCL1 (0.40) XDHKDM5BF11ALDH1A1KDM4E

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 3446/4885XDH 128/4885KDM5B 406/4885

“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.