SCHEMBL4902564

SCHEMBL4902564

Cc1ccc(-c2cncc[n+]2[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
RCE1 Q9Y256 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.35
PKM P14618 1/20 0.35
NTSR1 P30989 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
RPS6KA3 P51812 1/20 0.33
MEN1 O00255 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL4908287 0.81 MAPK14 (0.37) RAB9APOLBPKMALDH1A1SMN1; SMN2
SCHEMBL4905152 0.81 KDM4E (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14170357 0.77 KDM4E (0.37) LMNAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL4904343 0.76 LMNA (0.39) RAB9ANPC1RCE1POLBLMNA
SCHEMBL4897541 0.73
SCHEMBL4906142 0.72 RAB9A (0.39) RAB9ANPC1RCE1LMNAPKM
SCHEMBL4906175 0.71 RAB9A (0.42) RAB9ANPC1RCE1POLBLMNA
SCHEMBL4905193 0.69 DYRK1A (0.47) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL12810071 0.69
SCHEMBL29556526 0.69

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 731/4885RCE1 764/4885

“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.