SCHEMBL1677029

SCHEMBL1677029

O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC29A1 Q99808 3/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SCN2A Q99250 1/20 0.37
DPP4 P27487 1/20 0.37
PSD A5PKW4 1/20 0.36
S1PR5 Q9H228 1/20 0.36
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36
ERBB2 P04626 1/20 0.36
TGM2 P21980 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL1677025 1.00 MEN1 (0.50) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676500 0.92 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676504 0.92 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676692 0.90 FNTA (0.40) MEN1KMT2ADPP4S1PR5FNTA
SCHEMBL1676694 0.90 FNTA (0.40) MEN1KMT2ADPP4S1PR5FNTA
SCHEMBL1676333 0.89 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676331 0.89 MEN1 (0.51) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676833 0.88 SLC29A1 (0.38) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676830 0.88 SLC29A1 (0.38) MEN1KMT2ASLC29A1KEAP1NFE2L2
SCHEMBL1676999 0.88 DPP4 (0.43) MEN1KMT2ADPP4S1PR5FNTA

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 4 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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO 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.