SCHEMBL6079871

SCHEMBL6079871

Cc1c(C(=O)O)nc2c(O)cccc2c1C(N)CCC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.35
CYP1A2 P05177 2/20 0.34
CTNNB1 P35222 3/20 0.34
WNT3A P56704 3/20 0.34
KDM4E B2RXH2 3/20 0.33
PARP1 P09874 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
GLA P06280 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
KDM4A O75164 1/20 0.32
RAB9A P51151 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL6080882 0.83 MRGPRX4 (0.41) L3MBTL1MAPTTDP1
SCHEMBL6081115 0.76 KDM4E (0.39) CCR6CYP1A2CTNNB1WNT3AKDM4E
SCHEMBL6079875 0.74 CCR6 (0.35) CCR6CYP1A2CTNNB1KDM4EPARP1
SCHEMBL6080749 0.71 CYP1A2 (0.54) CCR6CYP1A2KDM4EPARP1CYP2C9
SCHEMBL6080384 0.71 KDM4E (0.46) CCR6CYP1A2KDM4EPARP1CYP2C9
SCHEMBL6080440 0.68 P2RX3 (0.44) CCR6CYP1A2KDM4EPARP1CYP2C9
SCHEMBL6080558 0.66 KDM4E (0.40) CCR6CYP1A2KDM4EPARP1CYP2C9
SCHEMBL9184944 0.63 L3MBTL1 (0.53) CTNNB1WNT3AKDM4ECYP2C19L3MBTL1
SCHEMBL6079913 0.62 HKDC1 (0.51) KDM4ERAB9AKMT2ALMNAMAPT
SCHEMBL6079499 0.62 ALDH1A1 (0.41) CYP1A2KDM4EPARP1CYP2C9CYP2C19

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 CCR6 3267/4885CYP1A2 117/4885CTNNB1 3709/4885

“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.