SCHEMBL14164166

SCHEMBL14164166

[O-][n+]1ccccc1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PTPN1 P18031 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
GSK3B P49841 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
Hydrochloric Acid SCHEMBL4543643 0.76 CHAT (0.49) HDAC8ALDH1A1CYP2A6NISCH
SCHEMBL4146554 0.76 KDM4E (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL29727517 0.73 LMNA (0.52) KDM4EHDAC8LMNAHTTALDH1A1
SCHEMBL871319 0.73 LMNA (0.52) KDM4EHDAC8LMNAHTTALDH1A1
SCHEMBL4906168 0.72 IDO1 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL25302086 0.71 ALDH1A1 (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL27953 0.71 ALDH1A1 (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL29350007 0.71 ALDH1A1 (0.59) CA12CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL3565756 0.71 ALDH1A1 (0.46) KDM4ELMNAHTTGAAALDH1A1
SCHEMBL31509682 0.69 LMNA (0.40) KDM4ELMNAHTTALPLALDH1A1

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 2 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

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 CA12 599/4885CA1 644/4885CA2 1183/4885

“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.