SCHEMBL6080581

SCHEMBL6080581

O=C(O)c1cc(O)c2cc(Br)cc(O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
MCL1 Q07820 3/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NSD1 Q96L73 1/20 0.37
DHODH Q02127 1/20 0.36
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4A O75164 1/20 0.34
IGFBP1 P08833 1/20 0.34

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
SCHEMBL6598349 0.85 GPR35 (0.39) GPR35ALOX15TSHRHIF1AMCL1
SCHEMBL6590987 0.82 GPR35 (0.51) GPR35ALOX15MCL1KDM4ETDP1
SCHEMBL6080939 0.82 GPR35 (0.34) GPR35ALOX15TSHRHIF1AMCL1
SCHEMBL10215322 0.82 EPRS1 (0.53) GPR35ALOX15TSHRHIF1AMCL1
SCHEMBL6080115 0.81 MAPT (0.40) TSHRKDM4EKMT2AMAPTTDP1
SCHEMBL6592020 0.81 GPR35 (0.41) GPR35KDM4EKMT2AMAPTTDP1
SCHEMBL6592024 0.81 GPR35 (0.41) GPR35KDM4EKMT2AMAPTTDP1
SCHEMBL6081026 0.79 GPR35 (0.39) GPR35ALOX15TSHRHIF1AKDM4E
SCHEMBL6080771 0.79 GPR35 (0.46) GPR35ALOX15TSHRHIF1AKDM4E
SCHEMBL13313445 0.79 ALOX15 (0.52) GPR35ALOX15TSHRHIF1AKDM4E

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 GPR35 1071/4885ALOX15 2210/4885TSHR 4728/4885

“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.