SCHEMBL6080478

SCHEMBL6080478

N#Cc1cccc2c(OCc3ccccc3)c(Br)c(C(=O)OCc3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
MAOB P27338 2/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ADORA2A P29274 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL6594157 0.90 XDH (0.40) XDHMAOBKDM4EALDH1A1
SCHEMBL6079596 0.85 MRGPRX4 (0.41) TSHRKMT2ASLC6A2SLC6A3TDP1
SCHEMBL6080436 0.84 ADORA3 (0.41) XDHMAOBKMT2ASLC6A2SLC6A3
Benzene SCHEMBL6592619 0.78 XDH (0.39) XDHMAOBKDM4EALDH1A1
SCHEMBL6593140 0.76 XDH (0.38) XDHMAOBKDM4EALDH1A1
SCHEMBL6592161 0.74 MRGPRX4 (0.46) KMT2AMAPTKDM4EADORA2ARAB9A
SCHEMBL6593145 0.74 XDH (0.40) XDH
SCHEMBL6080482 0.72 XDH (0.40) XDHMAOB
SCHEMBL6079516 0.71 MRGPRX4 (0.40) KMT2ASLC6A2SLC6A3TDP1EGLN1
SCHEMBL6079944 0.70 XDH (0.42) XDHMAOB

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 XDH 128/4885MAOB 402/4885TSHR 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.