SCHEMBL1477698

SCHEMBL1477698

NNC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.69
▸ PRMT5 O14744 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ P2RX7 Q99572 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR4 Q13639 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL5480367 0.85 PARP1 (0.66) PARP1PRMT5RXFP1HDAC3BRD4
SCHEMBL29698487 0.84 PARP1 (0.64) PARP1PRMT5RXFP1
SCHEMBL24754417 0.83 PARP1 (0.59) PARP1PRMT5RXFP1HTR3AHTR4
SCHEMBL2127143 0.83 PARP1 (0.55) PARP1PRMT5RXFP1HTR3AHTR4
SCHEMBL1082188 0.82 EGLN1 (0.63) PARP1PRMT5RXFP1HTR3AHTR4
SCHEMBL1297898 0.81 PARP1 (0.70) PARP1PRMT5RXFP1
SCHEMBL630485 0.81 PARP1 (1.00) PARP1
SCHEMBL1290334 0.81 PARP1 (0.60) PARP1PRMT5RXFP1
SCHEMBL5823494 0.80 PARP1 (0.59) PARP1PRMT5RXFP1
SCHEMBL26177802 0.80 PARP1 (0.59) PARP1PRMT5RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 — — US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 — — US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 — — US disclosed
US-20060142266-A1 Compounds and their uses MGI GP, INC. (US) 2006-06-29 — — US disclosed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 — — US disclosed
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury GUILFORD PHARMACEUTICALS INC. (US) 2005-07-07 — — US disclosed
US-6887996-B2 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one GUILFORD PHARMACEUTICALS INC. (US) 2005-05-03 — — US disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 — — EP disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 — — US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 — — 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 (4 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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 PARP1 1/4885PRMT5 845/4885RXFP1 4372/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 PARP1 1/4885PRMT5 782/4885RXFP1 4207/4885
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury PARP1, PARP11, PARP15 PARP1 1/4885PRMT5 1305/4885RXFP1 2299/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 PARP1 1/4885PRMT5 782/4885RXFP1 4207/4885

“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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