SCHEMBL78485

SCHEMBL78485

O=c1[nH]nc(Cc2ccc(F)c(Br)c2)c2cccc([N+](=O)[O-])c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.57
AR P10275 2/20 0.47
ENPP1 P22413 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL77977 0.92 PARP1 (0.60) PARP1ARENPP1LMNA
SCHEMBL19748820 0.86 PARP1 (0.65) PARP1ARENPP1LMNACYP3A4
SCHEMBL29655016 0.86 PARP1 (0.65) PARP1ARENPP1LMNACYP3A4
SCHEMBL77515 0.85 AR (0.45) PARP1ARENPP1LMNA
SCHEMBL77552 0.85 PARP1 (0.55) PARP1
SCHEMBL29655158 0.83 PARP1 (0.61) PARP1ARENPP1LMNACYP3A4
SCHEMBL4572871 0.83 PARP1 (0.61) PARP1ARENPP1LMNA
SCHEMBL19748788 0.83 PARP1 (0.61) PARP1ARENPP1LMNACYP3A4
SCHEMBL4572876 0.80 PARP1 (0.72) PARP1ARENPP1LMNACYP3A4
SCHEMBL29483966 0.80 PARP1 (0.72) PARP1ARENPP1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
WO-2008114023-A2 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-25 WO disclosed
WO-2008114023-A2 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-25 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 (3 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP1 1973/4885AR 100/4885ENPP1 4189/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP1 1973/4885AR 100/4885ENPP1 4189/4885
US-20080280910-A1 PHTHALAZINONE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA, NCOA4 PARP1 3512/4885AR 392/4885ENPP1 4055/4885

“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.