SCHEMBL6079733

SCHEMBL6079733

COC(=O)c1cc(O)c2cc(Br)cc(N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.43
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
LCK P06239 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NR4A2 P43354 1/20 0.33
CHEK1 O14757 1/20 0.33
KMT2A Q03164 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
SCHEMBL6080115 0.87 MAPT (0.40) NQO2MAPTGAACYP1A2RECQL
SCHEMBL6079518 0.86 NQO2 (0.45) NQO2MAPTGAALCKKDM4E
SCHEMBL6080256 0.86 NQO2 (0.45) NQO2MAPTGAALCKKDM4E
SCHEMBL6081104 0.84 NQO2 (0.45) NQO2MAPTGAALCKKDM4E
SCHEMBL6080169 0.83 MAPT (0.41) NQO2MAPTGAACYP1A2RECQL
SCHEMBL6080021 0.83 NQO2 (0.49) NQO2MAPTGAALCKKDM4E
SCHEMBL6598349 0.82 GPR35 (0.39) MAPTKDM4EALDH1A1TSHRKMT2A
SCHEMBL6080128 0.80 GAA (0.39) NQO2MAPTGAACYP1A2RECQL
SCHEMBL6080353 0.80 NQO2 (0.41) NQO2MAPTGAALCKKDM4E
SCHEMBL6080426 0.79 NQO2 (0.43) NQO2MAPTGAAKDM4EALDH1A1

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 NQO2 2/4885MAPT 1575/4885GAA 589/4885

“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.