SCHEMBL4906175

SCHEMBL4906175

Cc1ccc(-c2cccc[n+]2[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 5/20 0.42
RCE1 Q9Y256 1/20 0.42
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
NTSR1 P30989 1/20 0.41
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
NR2F2 P24468 2/20 0.39
MAPT P10636 1/20 0.39
MITF O75030 1/20 0.36
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL31088294 0.82 HTT (0.44) RAB9ANPC1EDNRBEDNRANTSR1
SCHEMBL316983 0.82 HTT (0.44) RAB9ANPC1EDNRBEDNRANTSR1
SCHEMBL14164165 0.82 LMNA (0.38) RAB9ANPC1RCE1EDNRBEDNRA
SCHEMBL10845930 0.79 ALDH1A1 (0.44) RAB9ANPC1EDNRBEDNRALMNA
SCHEMBL28462243 0.79 CYP1A2 (0.44) NPC1EDNRBEDNRALMNAHTT
SCHEMBL2947533 0.79 LMNA (0.39) RAB9ANPC1EDNRBEDNRALMNA
SCHEMBL6099916 0.79 HSD17B10 (0.44) RAB9ANPC1EDNRBEDNRALMNA
SCHEMBL30406224 0.79 LMNA (0.39) RAB9ANPC1EDNRBEDNRALMNA
SCHEMBL14164168 0.79 RAB9A (0.47) RAB9ANPC1LMNAHTTKMT2A
SCHEMBL12632142 0.79 EDNRB (0.39) RAB9ANPC1EDNRBEDNRALMNA

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.