SCHEMBL16211408

SCHEMBL16211408

COC(=O)c1ccc(CN(C(=O)N2CCN(C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.43
LMNA P02545 2/20 0.41
CHKA P35790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.39
CCR5 P51681 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
S1PR1 P21453 1/20 0.38
ROS1 P08922 1/20 0.38
ALK Q9UM73 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16211372 0.92 CETP (0.42) CETPLMNASMN1; SMN2FAAHCCR5
SCHEMBL16211416 0.92 SMN1; SMN2 (0.44) CETPLMNASMN1; SMN2CCR5KDM4E
SCHEMBL16211457 0.90 HDAC1 (0.47) CETPSMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL16211546 0.89 TSHR (0.42) CETPLMNACCR5KDM4EALDH1A1
SCHEMBL16211401 0.89 HDAC6 (0.47) CETPLMNASMN1; SMN2FAAHS1PR1
SCHEMBL16211319 0.86 KMT2A (0.43) CETPLMNACHKACCR5KDM4E
SCHEMBL16211535 0.85 SMN1; SMN2 (0.41) CETPSMN1; SMN2CCR5KDM4EALDH1A1
SCHEMBL16211629 0.81 HDAC6 (0.45) CETPLMNASMN1; SMN2FAAHALDH1A1
SCHEMBL16211637 0.79 HDAC6 (0.47) CETPSMN1; SMN2FAAH
SCHEMBL22217774 0.79 LTB4R2 (0.53) LMNACHKAKDM4EALDH1A1GAA

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 CETP 3224/4885LMNA 2494/4885CHKA 546/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 CETP 3224/4885LMNA 2494/4885CHKA 546/4885

“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.