SCHEMBL2054475

SCHEMBL2054475

CCc1cc(C(=O)CBr)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.55
GNG2 P59768 1/20 0.51
GNB1 P62873 1/20 0.51
PTPN1 P18031 6/20 0.49
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11808028 0.85 GSK3B (0.55) GSK3BGNG2GNB1PTPN1HPGD
SCHEMBL14357333 0.85 HPGD (0.50) HPGDMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL30187429 0.82 GSK3B (0.61) GSK3BPTPN1HPGDMEN1KMT2A
SCHEMBL1726590 0.82 GSK3B (0.61) GSK3BPTPN1HPGDMEN1KMT2A
SCHEMBL8772648 0.81 HSP90AA1 (0.57) GSK3BGNG2GNB1PTPN1HPGD
SCHEMBL8647422 0.81 GSK3B (0.50) GSK3BGNG2GNB1PTPN1HPGD
SCHEMBL4342176 0.80 PTPN1 (0.53) GSK3BGNG2GNB1PTPN1HPGD
SCHEMBL1232165 0.79 HPGD (0.57) GSK3BPTPN1HPGDMEN1KMT2A
SCHEMBL29977001 0.79 HPGD (0.57) GSK3BPTPN1HPGDMEN1KMT2A
SCHEMBL3258577 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ETSHR

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 2762/4885GNG2 239/4885GNB1 254/4885

“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.