SCHEMBL6079898

SCHEMBL6079898

O=C(O)c1nc2c(OCc3ccccc3)c(Br)ccc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER1 P34995 1/20 0.37
DHODH Q02127 2/20 0.36
MCL1 Q07820 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL6080030 0.88 PTGER1 (0.41) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6080645 0.85 P2RY14 (0.43) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6081248 0.85 THRA (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6591920 0.82 THRA (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6080114 0.81 FFAR1 (0.38) KDM4EALDH1A1MEN1KMT2AMCL1
SCHEMBL6080784 0.81 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CCNB2CCNE2
SCHEMBL6080659 0.81 PTGER1 (0.44) THRATHRBSMN1; SMN2PTGER1MCL1
SCHEMBL6080945 0.81 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2AMCL1
SCHEMBL6080121 0.81 PTPN1 (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6081088 0.81 RXRA (0.41) KDM4EALDH1A1PTGER1DHODHMCL1

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 THRA 4854/4885THRB 4839/4885KDM4E 1006/4885

“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.