SCHEMBL3351861

SCHEMBL3351861

O=C(O)c1ccc(Cc2n[nH]c(=O)c3ccccc23)o1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.65
AR P10275 1/20 0.65
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
ENPP1 P22413 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3354157 0.81 PARP1 (0.68) PARP1
SCHEMBL863462 0.80 AR (1.00) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL19748627 0.80 MEN1 (0.62) PARP1ARLMNAMEN1KMT2A
SCHEMBL29655085 0.80 MEN1 (0.62) PARP1ARLMNAMEN1KMT2A
SCHEMBL12955526 0.77 AR (0.77) PARP1ARLMNAMEN1KMT2A
SCHEMBL30416453 0.76 PARP1 (0.73) PARP1AR
SCHEMBL77913 0.76 PARP1 (0.73) PARP1AR
Formic Acid SCHEMBL28018258 0.76 PARP1 (0.85) PARP1ARLMNAKDM4EENPP1
SCHEMBL29403857 0.76 PARP1 (0.70) PARP1
SCHEMBL21408902 0.76 PARP1 (0.60) PARP1ARLMNACYP3A4CYP2C9

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
CN-101048399-B 4-hetero aryl methyl substituted phthalazinone derivatives KUDOS PHARM LTD 2010-09-01 CN disclosed
US-7666870-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2010-02-23 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
CN-101048399-A 4-hetero aryl methyl substituted phthalazinone derivatives KUDOS PHARM LTD (GB) 2007-10-03 CN disclosed
EP-1791827-A1 4-HETEROARYLMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2007-06-06 EP disclosed
US-20060063767-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LTD (GB) 2006-03-23 US disclosed
WO-2006021801-A1 4-HETEROARYLMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2006-03-02 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 (2 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-20090163477-A1 PHTHALAZINONE DERIVATIVES PARP1, PARP2, PARP11 PARP1 1/4885AR 190/4885LMNA 516/4885
US-20060063767-A1 Phthalazinone derivatives PARP1, PARP2, NR0B1 PARP1 1/4885AR 155/4885LMNA 504/4885

“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.