SCHEMBL17618059

SCHEMBL17618059

COC(=O)c1ccc(CNc2ccc(C)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.53
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
TDP1 Q9NUW8 2/20 0.50
ALOX5 P09917 1/20 0.50
HIF1A Q16665 3/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 2/20 0.42

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
SCHEMBL20236349 0.88 HKDC1 (0.52) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL18423980 0.88 HIF1A (0.59) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL30024522 0.88 HIF1A (0.59) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL17618058 0.86 EPHX2 (0.53) CA1CA2TDP1MAPTALDH1A1
SCHEMBL17618052 0.86 EGFR (0.53) HKDC1CA1CA2TDP1ALOX5
SCHEMBL16211877 0.86 CA1 (0.51) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL20236404 0.84 MAPT (0.52) HKDC1CA1CA2ALOX5MAPT
SCHEMBL22218305 0.84 HKDC1 (0.48) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL20236457 0.83 MAPT (0.60) HKDC1CA1CA2ALOX5HIF1A
SCHEMBL20236558 0.83 HKDC1 (0.47) HKDC1CA1CA2ALOX5HIF1A

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 3 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-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

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 HKDC1 295/4885CA1 689/4885CA2 2175/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 HKDC1 295/4885CA1 689/4885CA2 2175/4885

“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.