SCHEMBL4906168

SCHEMBL4906168

Cc1ccccc1-c1cccc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPK14 Q16539 3/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GABRG2 P18507 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
SCHEMBL23099379 0.77 RAB9A (0.42) IDO1NPC1CASP3RAB9ASMN1; SMN2
SCHEMBL29727517 0.77 LMNA (0.52) LMNAHTTEDNRBEDNRANPC1
SCHEMBL871319 0.77 LMNA (0.52) LMNAHTTEDNRBEDNRANPC1
SCHEMBL18432977 0.75 NPC1 (0.36) IDO1MAPK14NPC1CASP3RAB9A
SCHEMBL12136615 0.75 NPC1 (0.36) IDO1HTTNPC1CASP3RAB9A
SCHEMBL13470215 0.75 APP (0.44) LMNAMAPK14SMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL3565756 0.73 ALDH1A1 (0.46) IDO1LMNAHTTEDNRBEDNRA
SCHEMBL14164166 0.72 CA12 (0.38) LMNAHTTTSHRCA12CA1
SCHEMBL4906175 0.71 RAB9A (0.42) LMNAHTTEDNRBEDNRANPC1
SCHEMBL14164171 0.71 IDO1 (0.38) IDO1HTTNPC1CASP3RAB9A

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 IDO1 1673/4885LMNA 1556/4885HTT 4785/4885

“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.