SCHEMBL3385200

SCHEMBL3385200

O=C1c2ccccc2C(=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR2B P41595 1/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
SCN2A Q99250 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PTPRC P08575 3/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
S100A4 P26447 1/20 0.47
PDE1C Q14123 1/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL9148185 0.76 HTR2A (0.52) KDM4ELMNAMAPTHTR2BGAA
SCHEMBL10840857 0.75 TSHR (0.59) KDM4ELMNAMAPTTP53GAA
SCHEMBL29525131 0.72 TSHR (0.59) KDM4ELMNAMAPTTP53GAA
SCHEMBL4573093 0.72 MEN1 (0.68) KDM4ELMNAMAPTTP53CYP1A2
SCHEMBL30317990 0.72 TSHR (0.59) KDM4ELMNAMAPTTP53GAA
SCHEMBL14940009 0.72 MAPT (0.61) KDM4ELMNAMAPTTP53CYP1A2
SCHEMBL14939315 0.72 MEN1 (0.63) KDM4ELMNAMAPTTP53CYP1A2
SCHEMBL8957963 0.72 MEN1 (0.63) KDM4ELMNAMAPTTP53CYP1A2
SCHEMBL14939598 0.72 RAB9A (0.63) KDM4ELMNAMAPTTP53CYP1A2
SCHEMBL10046438 0.72 TSHR (0.59) KDM4ELMNAMAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501822-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2010-12-15 EP disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 US disclosed
EP-1501822-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2005-02-02 EP disclosed
US-20040023968-A1 Phthalazinone derivatives, and their use as pharmaceuticals. In particular, the present as enzyme inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2004-02-05 US disclosed
WO-2003093261-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2003-11-13 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-20040023968-A1 Phthalazinone derivatives, and their use as pharmaceuticals. In particular, the present as enzyme inhibitors PARP1, PARP2, PARP15 KDM4E 707/4885LMNA 233/4885MAPT 505/4885

“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.