SCHEMBL6526902

SCHEMBL6526902

CNCc1ccc(-c2nc3cccc4n3c2CCN(Cc2ccc(OC)cc2OC)C4=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.42
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
BTK Q06187 1/20 0.36
TNIK Q9UKE5 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 3/20 0.35

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
SCHEMBL3416104 0.92 EGLN1 (0.36) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6523384 0.88 KCNK3 (0.40) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6517680 0.87 EGLN1 (0.39) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3432482 0.80 CYP1A2 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6523960 0.79 KDM4E (0.35) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6519308 0.67 EGLN1 (0.48) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10640944 0.65 KDM4E (0.53) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29237102 0.64 EGLN1 (0.48) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6517204 0.63 EGLN1 (0.43) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29485595 0.62 APLNR (0.76) MEN1KMT2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 US 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 EGLN1 3349/4885HDAC3 1025/4885HDAC4 1673/4885

“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.