SCHEMBL4908402

SCHEMBL4908402

O=[N+]([O-])c1ccc(-c2cnc3ccccc3[n+]2[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 3/20 0.44
MMP13 P45452 2/20 0.43
APP P05067 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TNKS O95271 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
SCHEMBL4899652 0.81 BCL2 (0.37) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4897532 0.79 TDP1 (0.39) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL14170378 0.78 ERN1 (0.36) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4907642 0.73 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL4897609 0.72 CYP2A6 (0.46) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL7153742 0.70 NPC1 (1.00) RAB9ANPC1MMP2MMP9MMP8
SCHEMBL11531389 0.69 CRHBP (0.54) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL17796892 0.69 ALDH1A1 (0.69) RAB9ANPC1MMP2MMP9MMP8
SCHEMBL12549567 0.69 CYP1A2 (0.72) RAB9ANPC1MMP2MMP9MMP8
SCHEMBL4905366 0.67 CRHBP (0.51) RAB9ANPC1ALDH1A1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 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-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 RAB9A 1209/4885NPC1 731/4885MMP2 4545/4885

“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.