SCHEMBL4906142

SCHEMBL4906142

Cc1ccc(-c2ccnc[n+]2[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RCE1 Q9Y256 1/20 0.37
NTSR1 P30989 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 2/20 0.34
STAT1 P42224 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MITF O75030 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL3361203 0.80 NOTUM (0.44) RAB9ANPC1NTSR1SMN1; SMN2KDM4E
SCHEMBL4907831 0.74 ALDH1A1 (0.46) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4906175 0.68 RAB9A (0.42) RAB9ANPC1MEN1KMT2ARCE1
SCHEMBL94519 0.67 MAPT (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13019480 0.67 MAPT (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11988032 0.67 MAPT (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14164175 0.65 RAB9A (0.40) RAB9ANPC1MEN1KMT2ARCE1
SCHEMBL20365744 0.63 NPC1 (0.61) RAB9ANPC1MEN1KMT2ARCE1
SCHEMBL308340 0.61
SCHEMBL10534630 0.61

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 731/4885MEN1 543/4885

“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.