SCHEMBL16804473

SCHEMBL16804473

COC(=O)c1ccc(Cn2ccc3c(N4CCC5(CCN(Cc6ccc(OC)cc6)C5)CC4)ccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.47
CYP2D6 P10635 6/20 0.47
CYP2C9 P11712 5/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 7/20 0.44
CYP1A2 P05177 2/20 0.43
USP2 O75604 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GHSR Q92847 3/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
METAP2 P50579 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL18125641 0.96 GHSR (0.47) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL16804054 0.92 HDAC1 (0.49) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL16804291 0.89 POLB (0.42) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL18108982 0.89 HDAC1 (0.49) HPGDTSHRKMT2ALMNAHDAC1
SCHEMBL16804429 0.88 HDAC1 (0.49) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL16804212 0.86 OPRD1 (0.39) CYP3A4CYP2C9ALDH1A1HPGDMEN1
SCHEMBL16804422 0.85 POLB (0.42) CYP3A4CYP2D6CYP2C9CYP1A2GHSR
SCHEMBL16804409 0.85 LMNA (0.42) LMNAHDAC1
SCHEMBL20525472 0.84 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL18109080 0.84 LMNA (0.41) LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP 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-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 CYP3A4 1207/4885CYP2D6 1490/4885CYP2C9 1214/4885

“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.