SCHEMBL6080809

SCHEMBL6080809

Cc1c(C(=O)O)nc2c(O)ccc(Br)c2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 2/20 0.36
DHODH Q02127 2/20 0.36
NQO2 P16083 2/20 0.36
GPR35 Q9HC97 2/20 0.33
IGFBP3 P17936 1/20 0.32
RNASEH1 O60930 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6081119 0.83 RNASEH1 (0.44) DHODHNQO2GPR35IGFBP3RNASEH1
SCHEMBL6080184 0.81 MEN1 (0.38) EPRS1GPR35KDM4EMAPTTDP1
SCHEMBL6080976 0.79 MEN1 (0.36) RNASEH1KDM4AKDM4ERAB9AKMT2A
SCHEMBL6079954 0.78 PIN1 (0.39) DHODHRNASEH1MAPTCYP1A2CYP2C19
SCHEMBL6080445 0.76 MAPT (0.47) MAPTTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL6079819 0.76 DHODH (0.36) DHODHIGFBP3KDM4AKDM4EMAPT
SCHEMBL6080337 0.73 CDK9 (0.41) DHODHKDM4EMAPTCDK9DYRK1A
SCHEMBL6080384 0.72 KDM4E (0.46) KDM4AKDM4EMAPTRAB9AKMT2A
SCHEMBL6080475 0.70 KDM4E (0.44) NQO2GPR35IGFBP3KDM4AKDM4E
SCHEMBL6080544 0.70 KDM4E (0.34) DHODHKDM4EMAPTRAB9ATDP1

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 EPRS1 3165/4885DHODH 188/4885NQO2 2/4885

“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.