SCHEMBL16211444

SCHEMBL16211444

COC(=O)c1ccc(CNc2cccc(Br)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 2/20 0.46
ALOX5 P09917 1/20 0.44
HKDC1 Q2TB90 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
BDKRB1 P46663 2/20 0.41
ALOX15 P16050 1/20 0.41
NOX4 Q9NPH5 1/20 0.40

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
SCHEMBL18464053 0.88 MEN1 (0.55) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL17618052 0.86 EGFR (0.53) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL16211512 0.86 PPARA (0.49) MEN1KMT2AATM
SCHEMBL30024522 0.86 HIF1A (0.59) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL18423980 0.86 HIF1A (0.59) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL20236937 0.85 EGFR (0.52) EGFRMEN1KMT2AMAPTNPC1
SCHEMBL20236558 0.84 HKDC1 (0.47) EGFRMEN1KMT2AMAPTHIF1A
SCHEMBL16211596 0.83 MAPT (0.55) EGFRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20237137 0.82 RAB9A (0.49) EGFRNPC1RAB9AHIF1ACA1
SCHEMBL16213186 0.81 CA1 (0.61) EGFRMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
EP-2991982-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-03-09 EP disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 WO disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 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 (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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 EGFR 3867/4885MEN1 3934/4885KMT2A 86/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 EGFR 3867/4885MEN1 3934/4885KMT2A 86/4885

“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.