SCHEMBL16804309

SCHEMBL16804309

COC(=O)c1ccc(Cn2ccc3c(N4CCN(Cc5ccccc5F)CC4)ccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 4/20 0.43
MAPK1 P28482 1/20 0.43
HTR6 P50406 3/20 0.42
POLB P06746 1/20 0.42
NPY2R P49146 1/20 0.42
THRB P10828 1/20 0.42
DRD2 P14416 1/20 0.42
GPR6 P46095 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL18108930 0.89 ALDH1A1 (0.50) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL18108988 0.89 HDAC1 (0.46) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL18109023 0.86 CHKA (0.44) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL16804232 0.86 HTR6 (0.47) KMT2AALDH1A1KDM4EMEN1HTR6
SCHEMBL18852706 0.86 OPRD1 (0.41) KMT2AALDH1A1KDM4EMEN1HTR6
SCHEMBL16804252 0.86 OPRD1 (0.41) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL18108982 0.85 HDAC1 (0.49) KMT2ALMNAMAPTKLKB1KLK1
SCHEMBL16804400 0.85 SCN5A (0.43) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL16804436 0.84 SCN9A (0.47) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL18108938 0.84 CHKA (0.47) KMT2AALDH1A1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 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 (1 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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 KMT2A 62/4885ALDH1A1 688/4885KDM4E 154/4885

“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.