SCHEMBL4907642

SCHEMBL4907642

COC(=O)c1ccc(-c2cnc3ccccc3[n+]2[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MAPT P10636 6/20 0.45
HSD17B10 Q99714 1/20 0.45
TNKS O95271 1/20 0.43
MAPK1 P28482 2/20 0.42
FGFR1 P11362 1/20 0.42
PDE5A O76074 1/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4902871 0.71 RAB9A (0.64) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL28574625 0.71 CYP1A2 (0.56) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL4905366 0.71 CRHBP (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL14164169 0.71 TSHR (0.50) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL1289674 0.69 CA12 (0.47) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL17981355 0.69 KDM4E (0.60) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL8018992 0.68 ALDH1A1 (0.60) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL4897609 0.68 CYP2A6 (0.46) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL25439893 0.68 TSHR (0.64) ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL4902455 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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 ALDH1A1 1518/4885RAB9A 1209/4885KDM4E 3999/4885

“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.