SCHEMBL4240983

SCHEMBL4240983

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCc2ccc(F)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.35
IKBKB O14920 3/20 0.35
NTRK1 P04629 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
RORC P51449 1/20 0.33
CXCR3 P49682 2/20 0.32
MLLT3 P42568 1/20 0.32
MLLT1 Q03111 1/20 0.32
HTR2A P28223 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31

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) MAPT
SCHEMBL4247402 0.88 ITGB3 (0.36) WDR5IKBKBNTRK1ITGB3ITGB1
SCHEMBL4245052 0.87 MEN1 (0.40) WDR5MAPTPPARG
SCHEMBL4243728 0.85 PPARG (0.40) WDR5NTRK1CXCR3PPARG
SCHEMBL4244793 0.85 SLC40A1 (0.34) WDR5IKBKBNTRK1ITGB3ITGB1
SCHEMBL4243003 0.84 HDAC3 (0.35) IKBKBITGB1MAPT
SCHEMBL4247579 0.83 HPGD (0.39) CXCR3
SCHEMBL4250667 0.83 IKBKB (0.31) IKBKBMAPT
SCHEMBL4243959 0.82 MAPT (0.39) MAPT
SCHEMBL4240290 0.81 HPGD (0.40) GAAMAPT

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 WDR5 443/4885IKBKB 3374/4885NTRK1 326/4885

“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.