SCHEMBL1676274

SCHEMBL1676274

O=[N+]([O-])c1ccc(Cn2cc(-c3ccccc3)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SLC29A1 Q99808 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SCN2A Q99250 1/20 0.41
S1PR5 Q9H228 1/20 0.39
NQO2 P16083 1/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSD A5PKW4 1/20 0.38
ERBB2 P04626 1/20 0.37
TRPM2 O94759 1/20 0.37

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
SCHEMBL1676277 1.00 MEN1 (0.53) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676500 0.91 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676504 0.91 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676331 0.91 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676333 0.91 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1677025 0.88 MEN1 (0.50) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1677058 0.88 MEN1 (0.50) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1677056 0.88 MEN1 (0.50) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1677029 0.88 MEN1 (0.50) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676041 0.82 MEN1 (0.45) MEN1KMT2AS1PR5LMNAMAPT

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885SLC29A1 1489/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MEN1 2851/4885KMT2A 2145/4885SLC29A1 1489/4885

“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.