SCHEMBL6079966

SCHEMBL6079966

Cc1c(C(=O)O)nc2c([N+](=O)[O-])ccc(Br)c2c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PIN1 Q13526 2/20 0.39
MAPT P10636 2/20 0.37
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
APP P05067 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
EDNRA P25101 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL6080474 0.87 MEN1 (0.39) KMT2AMEN1PIN1MAPTAPP
SCHEMBL6080726 0.84 KMT2A (0.41) KMT2AMEN1PIN1MAPTCTSV
SCHEMBL6079453 0.83 MAPT (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6079324 0.81 CTSV (0.40) KMT2AMEN1PIN1MAPTCTSV
SCHEMBL6081200 0.81 ALDH1A1 (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6590323 0.79 CTSV (0.44) PIN1CTSVCTSLAPP
SCHEMBL6590313 0.79 CTSV (0.44) PIN1CTSVCTSLAPP
SCHEMBL6080184 0.78 MEN1 (0.38) KMT2AMEN1MAPTALDH1A1
Benzene SCHEMBL6080664 0.77 MAPT (0.39) KMT2AMEN1PIN1MAPTCTSV
SCHEMBL6081248 0.77 THRA (0.41) KMT2AMEN1MAPTTHRATHRB

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 KMT2A 1384/4885MEN1 740/4885PIN1 3446/4885

“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.