SCHEMBL2054480

SCHEMBL2054480

COC(=O)c1cc(C(=O)CBr)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.49
MAPT P10636 6/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
PTPN1 P18031 5/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL28547135 0.89 GSK3B (0.50) GSK3BMAPTGAALMNAHPGD
SCHEMBL15544448 0.87 ALDH1A1 (0.49) GSK3BMAPTGAALMNAHPGD
SCHEMBL11812277 0.84 ALDH1A1 (0.41) MAPTGAALMNAHPGDHSD17B10
SCHEMBL203438 0.84 GSK3B (0.49) GSK3BMAPTGAALMNAHPGD
SCHEMBL30016749 0.84 CA12 (0.57) GSK3BMAPTGAALMNAHPGD
SCHEMBL6029423 0.84 CA12 (0.57) GSK3BMAPTGAALMNAHPGD
SCHEMBL31386371 0.83 PDGFRB (0.43) GSK3BMAPTGAALMNAHPGD
SCHEMBL821898 0.83 KDM4E (0.59) MAPTGAALMNAHPGDHSD17B10
SCHEMBL6402167 0.83 GSK3B (0.51) GSK3BMAPTGAALMNAHPGD
SCHEMBL4474077 0.83 MEN1 (0.48) GSK3BMAPTGAALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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 (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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G GSK3B 2762/4885MAPT 3289/4885GAA 1948/4885

“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.