SCHEMBL1676760

SCHEMBL1676760

O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PSD A5PKW4 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 2/20 0.34
SLC29A1 Q99808 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 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
SCHEMBL1676757 1.00 TGM2 (0.40) TGM2MEN1KMT2AEGFRPIK3CA
SCHEMBL1676804 0.92 MAPT (0.42) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1676802 0.92 MAPT (0.42) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1677025 0.86 MEN1 (0.50) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1677029 0.86 MEN1 (0.50) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1480227 0.85 KDM4E (0.40) TGM2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1480229 0.85 KDM4E (0.40) TGM2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1676823 0.84 PIK3CA (0.41) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1676821 0.84 PIK3CA (0.41) TGM2MEN1KMT2APIK3CAPIK3CB
SCHEMBL1676736 0.84 TGM2 (0.43) TGM2MEN1KMT2APIK3CAPIK3CB

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 TGM2 1373/4885MEN1 2851/4885KMT2A 2145/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE TGM2 1373/4885MEN1 2851/4885KMT2A 2145/4885

“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.