SCHEMBL87129

SCHEMBL87129

COc1cccc2c1C(Br)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TOP1 P11387 1/20 0.42
EGFR P00533 1/20 0.41
PIM1 P11309 1/20 0.41
NQO1 P15559 1/20 0.40
POR P16435 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NR3C1 P04150 1/20 0.39
HTT P42858 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 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
SCHEMBL20552496 0.83 AR (0.44) ACHECA1CA2MEN1KMT2A
SCHEMBL3901331 0.83 AR (0.44) ACHECA1CA2MEN1KMT2A
SCHEMBL11394821 0.79 NQO1 (0.43) ACHECA1CA2MEN1KMT2A
SCHEMBL675985 0.79 KDM4E (0.62) ACHECA1CA2MEN1KMT2A
SCHEMBL11391351 0.77 ACHE (0.47) ACHECA1CA2MEN1KMT2A
SCHEMBL11400185 0.77 KDM4E (0.68) ACHEKDM4EHTTHSD17B10LMNA
SCHEMBL10495516 0.74 AKT1 (0.48) ACHEMEN1KMT2ATOP1EGFR
SCHEMBL23914619 0.74 CA1 (0.39) CA1CA2MEN1KMT2ACA7
SCHEMBL11355922 0.73 ACHE (0.41) ACHECA1CA2MEN1KMT2A
SCHEMBL17501668 0.73 NR3C1 (0.42) ACHENR3C1LMNAALDH1A1RAB9A

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 14 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
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-4288608-A Synthesis of anthracyclines RESEARCH CORPORATION (US) 1981-09-08 US disclosed
US-4196127-A INTERMEDIATES FOR DAUNOMYCIN ANTIBIOTICS, ANTITUMOR RESEARCH CORPORATION (US) 1980-04-01 US disclosed
EP-0007400-A1 Anthracene derivatives useful as intermediates in the preparation of daunomycinones Research Corporation (US) 1980-02-06 EP 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA ACHE 4142/4885CA1 3734/4885CA2 2814/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA ACHE 4142/4885CA1 3734/4885CA2 2814/4885

“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.