SCHEMBL6079326

SCHEMBL6079326

COC(=O)c1cc(OCc2ccccc2)c2cc(N)cc([N+](=O)[O-])c2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
MAPT P10636 3/20 0.43
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
NOTUM Q6P988 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6594769 0.90 CTSV (0.44) APPCTSVCTSLCYP19A1POLB
SCHEMBL6594775 0.90 CTSV (0.44) APPCTSVCTSLCYP19A1POLB
SCHEMBL6079319 0.88 APP (0.45) APPMAPTCTSVCTSLKMT2A
SCHEMBL6080613 0.87 CTSV (0.47) APPMAPTCTSVCTSLKMT2A
SCHEMBL6080661 0.86 APP (0.43) APPMAPTCTSVCTSLKMT2A
SCHEMBL6080214 0.86 APP (0.43) APPMAPTCTSVCTSLKMT2A
SCHEMBL6080362 0.83 POLB (0.45) APPMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6080231 0.83 MAPT (0.42) APPMAPTCTSVCTSLKMT2A
SCHEMBL6080321 0.83 MET (0.49) APPMAPTKMT2AALDH1A1
SCHEMBL6080108 0.82 APP (0.41) APPMAPTCTSVCTSLKMT2A

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 APP 442/4885MAPT 1575/4885CTSV 1695/4885

“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.