SCHEMBL6080384

SCHEMBL6080384

Cc1c(C(=O)O)nc2c(O)cccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
PARP1 P09874 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
RAB9A P51151 2/20 0.44
HIF1AN Q9NWT6 1/20 0.44
KMT2A Q03164 3/20 0.42
CCR6 P51684 1/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL6080749 0.84 CYP1A2 (0.54) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6080236 0.84 AURKA (0.41) ALDH1A1MAPTSMN1; SMN2PDE10AP2RX3
SCHEMBL6080337 0.84 CDK9 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL6080402 0.84 PARP1 (0.44) KDM4EPARP1RAB9AALDH1A1MAPT
SCHEMBL6080196 0.82 CNR2 (0.37) KDM4EL3MBTL1RAB9AKMT2AALDH1A1
SCHEMBL6080920 0.82 PDE10A (0.50) KDM4EPARP1L3MBTL1KMT2ATNKS
SCHEMBL6080782 0.82 DHODH (0.50) KDM4ECYP2C9KDM4AKMT2AALDH1A1
SCHEMBL6080122 0.81 SLC22A12 (0.37) KDM4EKDM4AALDH1A1MAPTSMN1; SMN2
SCHEMBL6079956 0.81 KDM4E (0.44) KDM4EPARP1CYP1A2CYP2D6CYP2C9
SCHEMBL6080679 0.80 TSHR (0.49) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1

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
CN-115867665-A Chimeric amplification subarray sequencing 博德研究所 2023-03-28 CN 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.