SCHEMBL4904343

SCHEMBL4904343

Cc1ccc(-c2cncc(-c3ccc(C)cc3)[n+]2[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 6/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 5/20 0.36
RCE1 Q9Y256 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
NTSR1 P30989 1/20 0.35
ACHE P22303 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL14164173 0.76 RAB9A (0.33) LMNAPKMRAB9AGAAKDM4E
SCHEMBL8989213 0.72 RAB9A (0.39) LMNARAB9AGAAKDM4EALDH1A1
SCHEMBL4897532 0.71 TDP1 (0.39) LMNARAB9AKDM4EALDH1A1HPGD
SCHEMBL4906142 0.69 RAB9A (0.39) LMNAPKMRAB9AGAAKDM4E
SCHEMBL4910639 0.65 CYP11B1 (0.59) LMNAPKMRAB9AKDM4EALDH1A1
SCHEMBL31226448 0.64 HSD17B1 (0.56) LMNAPKMACHECYP11B1CYP11B2
SCHEMBL13568566 0.64 CYP2A6 (0.57) LMNAPKMRAB9ANPC1CYP11B1
SCHEMBL18661495 0.63 ACHE (0.73) LMNAALDH1A1HPGDACHETDP1
SCHEMBL3287696 0.63 ACHE (0.73) LMNAALDH1A1HPGDACHETDP1
SCHEMBL197731 0.63 ACHE (0.73) LMNAALDH1A1HPGDACHETDP1

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 LMNA 1556/4885PKM 2661/4885RAB9A 1209/4885

“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.