SCHEMBL4984422

SCHEMBL4984422

CCCCS(=O)(=O)NCC(N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.56
AR P10275 1/20 0.43
GRIA4 P48058 1/20 0.40
PGAM1 P18669 1/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
ASAH1 Q13510 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38

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
SCHEMBL4984120 0.91 GBA1 (0.59) GBA1GRIA4AURKAKDRAURKB
SCHEMBL4982155 0.85 GBA1 (0.65) GBA1GRIA4HPGDMAPTKCNA5
SCHEMBL4985141 0.77 GBA1 (0.67) GBA1GRIA4
SCHEMBL12548149 0.75 PGAM1 (0.40) GBA1ARPGAM1ASAH1PSEN1
SCHEMBL12548098 0.75 PGAM1 (0.40) GBA1ARPGAM1ASAH1PSEN1
SCHEMBL28273520 0.74 AR (0.44) ARGRIA4PGAM1PSEN1PSEN2
SCHEMBL6554408 0.73 GRIA4 (0.67) GBA1GRIA4KCNA5
SCHEMBL6759326 0.73 GRIA4 (0.67) GBA1GRIA4KCNA5
SCHEMBL8802802 0.73 POLB (0.48) GBA1ALDH1A1KDM4E
SCHEMBL338392 0.73 GRIA4 (0.67) GBA1GRIA4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 GBA1 426/4885AR 3514/4885GRIA4 4068/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 GBA1 426/4885AR 3514/4885GRIA4 4068/4885

“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.