SCHEMBL6080362

SCHEMBL6080362

COC(=O)c1cc(OCc2ccccc2)c2cc(N3CCCCC3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
APP P05067 1/20 0.43
LRRK2 Q5S007 2/20 0.41
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOTUM Q6P988 1/20 0.40
MET P08581 1/20 0.40
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 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
SCHEMBL6080321 0.92 MET (0.49) APPLRRK2MAPTALDH1A1KMT2A
SCHEMBL6597732 0.91 POLB (0.48) POLBLRRK2MAPTALDH1A1KMT2A
SCHEMBL6597740 0.91 POLB (0.48) POLBLRRK2MAPTALDH1A1KMT2A
SCHEMBL6081022 0.91 ALDH1A1 (0.49) APPMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6602148 0.84 MET (0.49) POLBLRRK2MAPTKMT2ACYP2C9
SCHEMBL6079326 0.83 APP (0.45) POLBAPPMAPTALDH1A1KMT2A
SCHEMBL6079319 0.83 APP (0.45) POLBAPPMAPTALDH1A1KMT2A
SCHEMBL6079449 0.83 ALDH1A1 (0.45) POLBMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6080613 0.82 CTSV (0.47) POLBAPPMAPTALDH1A1KMT2A
SCHEMBL6602382 0.81 ALDH1A1 (0.44) POLBMAPTALDH1A1KMT2AL3MBTL1

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 POLB 2489/4885APP 442/4885LRRK2 1409/4885

“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.