SCHEMBL86920

SCHEMBL86920

O=C1OC(Br)c2c(Cl)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
LDHA P00338 1/20 0.36
NSD2 O96028 2/20 0.35
DAO P14920 2/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
TYMS P04818 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33

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
SCHEMBL3890561 0.81 SMARCA2 (0.36) SMARCA2SMARCA4PBRM1LDHANSD2
SCHEMBL4260328 0.78 SMARCA2 (0.37) SMARCA2SMARCA4PBRM1LDHANSD2
SCHEMBL23914619 0.78 CA1 (0.39) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8005819 0.77 SMARCA2 (0.36) SMARCA2SMARCA4PBRM1LDHANSD2
SCHEMBL87129 0.73 ACHE (0.43) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL5573073 0.72 ALDH1A1 (0.43) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL331624 0.72 S100A4 (0.47) MEN1ALDH1A1KMT2AMAPT
SCHEMBL11365119 0.70 HSP90AA1 (0.39) NSD2MEN1ALDH1A1LMNAKMT2A
SCHEMBL87116 0.69 ALDH1A1 (0.35) SMARCA2SMARCA4PBRM1LDHAMEN1
Bromide SCHEMBL3664289 0.68 ALDH1A1 (0.35) SMARCA2SMARCA4PBRM1LDHAMEN1

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 11 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
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US 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 SMARCA2 2460/4885SMARCA4 1682/4885PBRM1 925/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA SMARCA2 2460/4885SMARCA4 1682/4885PBRM1 925/4885

“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.