SCHEMBL6079745

SCHEMBL6079745

CCc1c(C(=O)O)nc2c(N)ccc(C)c2c1O.c1cc2cc-2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.38
HAO2 Q9NYQ3 1/20 0.37
DHFR P00374 3/20 0.35
MDM2 Q00987 2/20 0.34
DHODH Q02127 1/20 0.33
RXRA P19793 1/20 0.33
NR4A2 P43354 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CCR6 P51684 1/20 0.33
PIN1 Q13526 1/20 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
Benzene SCHEMBL6080245 0.93 KDM4E (0.37) DHODHRXRANR4A2PDE4BPDE4D
SCHEMBL6079660 0.82 DHODH (0.37) DUSP3HAO2DHFRDHODHKDM4E
SCHEMBL6079834 0.79 P2RX3 (0.44)
SCHEMBL6080544 0.76 KDM4E (0.34) DHODHPDE4BPDE4DKDM4EPOLB
SCHEMBL6079395 0.75 PARP1 (0.38) DHODHKDM4E
Benzene SCHEMBL6080781 0.75 PARP1 (0.38) DHODHKDM4E
SCHEMBL6080476 0.74 DHODH (0.34) DHODHKDM4E
SCHEMBL6080559 0.71 MCL1 (0.38) DHODH
SCHEMBL6081190 0.70 DHFR (0.39) DHFRKDM4ECCR6
SCHEMBL6080473 0.69 PIN1 (0.38) PDE4BPDE4DKDM4EPOLBPIN1

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 DUSP3 3566/4885HAO2 4233/4885DHFR 515/4885

“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.