SCHEMBL86913

SCHEMBL86913

O=C1OC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.38
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
S100A4 P26447 1/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
CYP19A1 P11511 1/20 0.34
AR P10275 1/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 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
SCHEMBL23915341 0.82 MAOB (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2309241 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ELMNA
Bromide SCHEMBL29136390 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL6200500 0.74 KDM4E (0.46) ALDH1A1KDM4ELMNA
SCHEMBL3308855 0.73 ALDH1A1 (0.64) PTPRCMAPK1CYP1A2ALDH1A1MEN1
SCHEMBL86917 0.72 S100A4 (0.42) PTPRCMAPK1CYP1A2ALDH1A1MEN1
SCHEMBL23909130 0.71 C1R (0.34) MAPK1ALDH1A1KMT2A
SCHEMBL10254108 0.70 S100A4 (0.41) PTPRCMAPK1CYP1A2ALDH1A1MEN1
SCHEMBL18705382 0.70 S100A4 (0.41) PTPRCMAPK1CYP1A2ALDH1A1MEN1
SCHEMBL2729079 0.70 PBRM1 (0.42) PTPRCMAPK1CYP1A2ALDH1A1MEN1

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 3 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-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 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 PTPRC 2001/4885MAPK1 2625/4885CYP1A2 151/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PTPRC 2001/4885MAPK1 2625/4885CYP1A2 151/4885

“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.