SCHEMBL1676823

SCHEMBL1676823

O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MDM2 Q00987 2/20 0.39
TGM2 P21980 1/20 0.39
NPBWR1 P48145 1/20 0.37
SLC29A1 Q99808 2/20 0.36
PSD A5PKW4 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 2/20 0.36
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1676821 1.00 PIK3CA (0.41) PIK3CAPIK3CBPIK3CGMDM2TGM2
SCHEMBL1676736 0.91 TGM2 (0.43) PIK3CAPIK3CBPIK3CGTGM2NPBWR1
SCHEMBL1676734 0.91 TGM2 (0.43) PIK3CAPIK3CBPIK3CGTGM2NPBWR1
SCHEMBL1481596 0.88 KDM4E (0.41) PIK3CAPIK3CBPIK3CGTGM2MEN1
SCHEMBL1481593 0.88 KDM4E (0.41) PIK3CAPIK3CBPIK3CGTGM2MEN1
SCHEMBL1676642 0.85 LMNA (0.41) MAPTLMNAMAOA
SCHEMBL1676640 0.85 LMNA (0.41) MAPTLMNAMAOA
SCHEMBL1481659 0.85 DRD2 (0.47) PIK3CAPIK3CBPIK3CGTGM2MAPT
SCHEMBL1481661 0.85 DRD2 (0.47) PIK3CAPIK3CBPIK3CGTGM2MAPT
SCHEMBL1481437 0.85 FLT3 (0.38) MAPTMAOBSMN1; SMN2

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 PIK3CA 265/4885PIK3CB 377/4885PIK3CG 534/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PIK3CA 265/4885PIK3CB 377/4885PIK3CG 534/4885

“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.