SCHEMBL6079330

SCHEMBL6079330

COC(=O)c1cc(O)c2cc(-c3ccccc3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ERN1 O75460 2/20 0.43
ABCB1 P08183 7/20 0.42
ABCC1 P33527 5/20 0.42
KCNMA1 Q12791 1/20 0.41
TYMS P04818 4/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL6594049 0.87 CRHBP (0.52) CRHBPCRHR2ERN1ABCB1ABCC1
SCHEMBL6594055 0.87 CRHBP (0.52) CRHBPCRHR2ERN1ABCB1ABCC1
SCHEMBL6079981 0.82 APP (0.49) ERN1APP
SCHEMBL6080243 0.81 ABCB1 (0.38) ERN1ABCB1ABCC1APP
SCHEMBL6080426 0.81 NQO2 (0.43) ABCC1
SCHEMBL6079934 0.81 MAPT (0.43) APP
SCHEMBL6081303 0.81 DHODH (0.43) ABCC1
SCHEMBL6080427 0.81 LMNA (0.44) APP
SCHEMBL6079854 0.78 CTSB (0.41) APP
SCHEMBL6079541 0.78 ALDH1A1 (0.40) CRHBPCRHR2

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 CRHBP 4731/4885CRHR2 4804/4885ERN1 4194/4885

“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.