SCHEMBL4906133

SCHEMBL4906133

Cc1ccc(-c2cc[n+]([O-])cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
KDM1A O60341 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
MITF O75030 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL12132107 0.72 RAB9A (0.44) KMT2APOLBMEN1KDM4EALDH1A1
SCHEMBL14283394 0.70
SCHEMBL158515 0.66
SCHEMBL2477927 0.66 CCR1 (0.71) KMT2AMETAP2METAP1POLBNOTUM
SCHEMBL4907034 0.65 KMT2A (0.37) KMT2AMETAP2METAP1POLBNOTUM
SCHEMBL10205815 0.65 CCR1 (0.55) KMT2AMETAP2METAP1POLBNOTUM
SCHEMBL10000248 0.64 CCR1 (0.68) KMT2AMETAP2METAP1POLBNOTUM
SCHEMBL10000250 0.64 CCR1 (0.54) KMT2AMETAP2METAP1POLBNOTUM
Water SCHEMBL20543428 0.64
SCHEMBL8118393 0.63

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 1 patent. 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

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 KMT2A 3236/4885METAP2 4179/4885METAP1 4153/4885

“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.