SCHEMBL6080558

SCHEMBL6080558

Cc1c(C(=O)O)nc2c(O)cccc2c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
PARP1 P09874 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR6 P51684 1/20 0.39
KDM4A O75164 1/20 0.38
RAB9A P51151 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
ALOX12 P18054 2/20 0.33

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
SCHEMBL6079899 0.86 PARP1 (0.39) KDM4EPARP1POLBTSHRLMNA
SCHEMBL6080440 0.86 P2RX3 (0.44) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6080043 0.79 NQO2 (0.43) KDM4EL3MBTL1KMT2AMEN1POLB
SCHEMBL6080384 0.79 KDM4E (0.46) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6079875 0.78 CCR6 (0.35) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6080749 0.76 CYP1A2 (0.54) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6079758 0.75 ADORA1 (0.43) CYP2C9CYP2C19L3MBTL1MAPTBRD4
SCHEMBL6079250 0.73 TLR8 (0.43) KDM4EPARP1TSHRLMNABID
SCHEMBL6080167 0.73 KDM4E (0.48) KDM4ECYP1A2CCR6KDM4ARAB9A
SCHEMBL6080126 0.73 PARP1 (0.36) KDM4EPARP1POLBP2RX3MCL1

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 KDM4E 1006/4885PARP1 1366/4885CYP1A2 117/4885

“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.