SCHEMBL4906590

SCHEMBL4906590

[O-][n+]1ccncc1C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
CHAT P28329 3/20 0.44
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4906586 1.00 CYP11B1 (0.52) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL4712805 0.76 RAB9A (0.67) RAB9AMEN1KMT2ANPC1CHAT
SCHEMBL4712807 0.76 RAB9A (0.67) RAB9AMEN1KMT2ANPC1CHAT
SCHEMBL9594801 0.70
SCHEMBL5864991 0.69 CHAT (0.48) RAB9AMEN1KMT2ANPC1CHAT
SCHEMBL5864993 0.69 CHAT (0.48) RAB9AMEN1KMT2ANPC1CHAT
SCHEMBL9268248 0.69 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL31668803 0.69 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL5496395 0.69 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL24759909 0.68 CYP11B2 (0.60) CYP11B1CYP11B2RAB9AMEN1KMT2A

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 1 patent. 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

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 CYP11B1 18/4885CYP11B2 6/4885RAB9A 1209/4885

“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.