SCHEMBL1676613

SCHEMBL1676613

COC(=O)CNC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.36
S1PR5 Q9H228 1/20 0.36
EIF4E P06730 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
SCHEMBL1676615 1.00 HDAC1 (0.38) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL1676269 0.93 HDAC1 (0.39) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL1676266 0.93 HDAC1 (0.39) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL1676674 0.92 S1PR5 (0.35) HDAC1HDAC6PLGPLAUPLAT
SCHEMBL1676129 0.91 CNR1 (0.39) KMT2ASMN1; SMN2PLGPLAUPLAT
SCHEMBL1676133 0.91 CNR1 (0.39) KMT2ASMN1; SMN2PLGPLAUPLAT
SCHEMBL1676777 0.91 GCGR (0.38) PLGPLAUPLATMAPTS1PR5
SCHEMBL1676779 0.91 GCGR (0.38) PLGPLAUPLATMAPTS1PR5
SCHEMBL1481344 0.91 DRD2 (0.44) HDAC1HDAC6SMN1; SMN2PLGPLAU
SCHEMBL1481346 0.91 DRD2 (0.44) HDAC1HDAC6SMN1; SMN2PLGPLAU

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 HDAC1 1783/4885HDAC6 1818/4885MEN1 2851/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE HDAC1 1783/4885HDAC6 1818/4885MEN1 2851/4885

“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.