SCHEMBL4907034

SCHEMBL4907034

Cc1ccc(-c2ccc[n+]([O-])n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
AGTR1 P30556 2/20 0.36
HPGDS O60760 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1752795 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL1022128 0.70
SCHEMBL3421833 0.68 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4905277 0.66 PTGS2 (0.35) AR
SCHEMBL23921025 0.66 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4401760 0.66 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL13876270 0.65
SCHEMBL4906692 0.65 SMN1; SMN2 (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1752891 0.65 RAB9A (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4906133 0.65 KMT2A (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT

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 3236/4885MEN1 543/4885ALDH1A1 1518/4885

“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.