SCHEMBL16804170

SCHEMBL16804170

O=C(NO)c1ccc(Cn2ccc3c(C4CCN(C(=O)c5cccc(F)c5)CC4)ccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP2D6 P10635 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 2/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC4 P56524 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
GFER P55789 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 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
SCHEMBL16804343 0.90 RBP4 (0.45) ALDH1A1GAAATMEGLN1CYP2D6
SCHEMBL16804368 0.88 HDAC1 (0.45) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL16804292 0.82 EGLN1 (0.52) ALDH1A1GAAEGLN1CYP2D6CYP3A4
SCHEMBL16804166 0.82 HDAC6 (0.43) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL18125622 0.81 HDAC6 (0.55) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL16804423 0.81 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL16804396 0.80 HDAC1 (0.44) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL16804049 0.80 HDAC6 (0.46) HDAC1HDAC6HDAC4HDAC11HDAC8
SCHEMBL18109047 0.79 HDAC1 (0.46) ALDH1A1HDAC1HDAC6HDAC4HDAC11
SCHEMBL18108959 0.79 HDAC6 (0.52) HDAC1HDAC6HDAC4ABL1BCR

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 ALDH1A1 688/4885GAA 350/4885ATM 3743/4885

“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.