SCHEMBL16747787

SCHEMBL16747787

Cc1[nH]c(=O)c(CNC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.38
▸ PRMT5 O14744 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
SCHEMBL16747804 0.83 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10L3MBTL1PRMT5
SCHEMBL16740900 0.82 KDM4E (0.51) PARP1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL16747772 0.81 PDE3B (0.58) —
SCHEMBL14498012 0.78 KDM4A (0.49) PARP1NAMPTKDM4ACYP1A2BCHE
SCHEMBL16120372 0.75 EZH2 (0.51) —
SCHEMBL21939689 0.75 KDM4A (0.52) NAMPTKDM4ACYP1A2ALDH1A1HDAC10
SCHEMBL9887612 0.74 EED (0.53) KDM4AALDH1A1HDAC1
SCHEMBL9887613 0.74 KDM4A (0.44) KDM4AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16402390 0.74 KDM4E (0.42) PARP1KDM4AKDM4EHPGDL3MBTL1
SCHEMBL16377050 0.73 EZH2 (0.43) KDM4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 PARP1 422/4885NAMPT 946/4885KDM4A 29/4885

“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.

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