SCHEMBL2147985

SCHEMBL2147985

COc1ccc(C2=CN3C(=O)c4cc(OC)ccc4N(COCC[Si](C)(C)C)C(=O)C3C2OCCCOC2C(c3ccc(OC)cc3)=CN3C(=O)c4cc(OC)ccc4N(COCC[Si](C)(C)C)C(=O)[C@H]23)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.32
PARK7 Q99497 1/20 0.32
CHRM5 P08912 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22245635 0.82 CHRM5 (0.33) PARK7CHRM5
SCHEMBL2148307 0.82 CHRM5 (0.33) PARK7CHRM5
SCHEMBL2299018 0.80 CHRM5 (0.33) PARK7CHRM5
SCHEMBL2148389 0.78 POLB (0.35) PARK7CHRM5POLBMAPTNPC1
SCHEMBL2297152 0.76 POLB (0.35) PARK7CHRM5POLBMAPTNPC1
SCHEMBL29524136 0.75 POLB (0.36) PARK7CHRM5POLBMAPTNPC1
SCHEMBL29778248 0.74 POLB (0.32) PARK7CHRM5POLB
SCHEMBL2148315 0.74 POLB (0.32) PARK7CHRM5POLB
SCHEMBL2292667 0.72 POLB (0.32) PARK7CHRM5POLB
SCHEMBL5926162 0.71 EGFR (0.32) POLBHPGDMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110162227-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-07-07 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 (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-20110162227-A1 PYRROLOBENZODIAZEPINES GRIN2C, ZKSCAN2, ZRANB2 PFKFB3 2475/4885PARK7 350/4885CHRM5 1046/4885

“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.