SCHEMBL4208290

SCHEMBL4208290

Cc1ccc(NC(=O)COc2c(F)cccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.48
FFAR1 O14842 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 4/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL1032539 0.80 POLB (0.58) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL9710367 0.78 KMT2A (0.62) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL14514323 0.74 KMT2A (0.70) MEN1KMT2ASMN1; SMN2HTTMAPK1
SCHEMBL5638709 0.74 KMT2A (0.70) MEN1KMT2ASMN1; SMN2MAPK1POLB
SCHEMBL15113445 0.74 PKM (0.73) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7511572 0.73 MEN1 (0.88) MEN1KMT2AHPGDSMN1; SMN2MAPT
SCHEMBL31504023 0.73 MEN1 (0.88) MEN1KMT2AHPGDSMN1; SMN2MAPT
SCHEMBL19074860 0.72 MEN1 (0.78) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL7514631 0.72 KMT2A (0.75) MEN1KMT2AHPGDSMN1; SMN2MAPT
SCHEMBL18328475 0.72 MEN1 (0.55) MEN1KMT2AHPGDSMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
US-7402603-B2 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2008-07-22 US disclosed
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2005-02-10 US disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 EP disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 WO 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 (3 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885HPGD 16/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885HPGD 16/4885
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885HPGD 16/4885

“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.