SCHEMBL4247402

SCHEMBL4247402

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCc2cccc(F)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
WDR5 P61964 2/20 0.35
PDE7B Q9NP56 1/20 0.33
IKBKB O14920 1/20 0.32
NTRK1 P04629 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL4239929 0.89 SMN1; SMN2 (0.41)
SCHEMBL4245052 0.89 MEN1 (0.40) WDR5
SCHEMBL4240983 0.88 WDR5 (0.35) ITGB3ITGB1ITGAVITGA5WDR5
SCHEMBL4243728 0.86 PPARG (0.40) WDR5NTRK1
SCHEMBL4244793 0.86 SLC40A1 (0.34) ITGB3ITGB1ITGAVITGA5WDR5
SCHEMBL4247579 0.85 HPGD (0.39)
SCHEMBL4243003 0.84 HDAC3 (0.35) ITGB1IKBKB
SCHEMBL4250667 0.84 IKBKB (0.31) IKBKB
SCHEMBL4243959 0.83 MAPT (0.39)
SCHEMBL4240290 0.82 HPGD (0.40)

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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ITGB3 2487/4885ITGB1 2922/4885ITGAV 2925/4885

“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.