SCHEMBL3355282

SCHEMBL3355282

O=C(O)c1ccc(Cc2n[nH]c(=O)c3ccccc23)s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.57
PARP1 P09874 3/20 0.57
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.49
PRMT5 O14744 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3352632 0.81 PARP1 (0.62) PARP1
SCHEMBL28018259 0.74 AR (0.63) ARPARP1LMNAPRMT5
SCHEMBL3351861 0.74 PARP1 (0.65) ARPARP1LMNATSHRKDM4E
SCHEMBL863462 0.74 AR (1.00) ARPARP1LMNATSHRPRMT5
SCHEMBL5717747 0.72 LMNA (1.00) ARPARP1LMNATSHRPRMT5
SCHEMBL30151141 0.72 LMNA (1.00) ARPARP1LMNATSHRPRMT5
SCHEMBL77913 0.71 PARP1 (0.73) ARPARP1
SCHEMBL3352195 0.71 TSHR (0.59) ARPARP1LMNATSHRPRMT5
SCHEMBL30416453 0.71 PARP1 (0.73) ARPARP1
SCHEMBL31172890 0.71 ENPP1 (0.59) ARPARP1LMNA

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 AR 190/4885PARP1 1/4885LMNA 516/4885
US-20060063767-A1 Phthalazinone derivatives PARP1, PARP2, NR0B1 AR 155/4885PARP1 1/4885LMNA 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.