SCHEMBL4013755

SCHEMBL4013755

O=C(c1oc2cc(OC3CCN(C4CCC4)CC3)c(Cl)cc2c1-c1ccc(F)cc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
HRH3 Q9Y5N1 5/20 0.36
HRH1 P35367 5/20 0.36
CCR3 P51677 4/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ACKR3 P25106 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4019964 0.92 MAPK1 (0.47) MAPK1UTS2RHRH3HRH1CCR3
SCHEMBL3803258 0.89 MAPK1 (0.38) MAPK1UTS2RHRH3HRH1CCR3
SCHEMBL3645576 0.88 UTS2R (0.40) MAPK1UTS2RHRH3HRH1CCR3
SCHEMBL4017237 0.88 HRH3 (0.44) UTS2RHRH3HRH1CCR3
SCHEMBL4017332 0.87 RECQL (0.36) MAPK1UTS2RHRH3HRH1CCR3
SCHEMBL4017336 0.87 RECQL (0.36) MAPK1UTS2RHRH3HRH1CCR3
SCHEMBL4014069 0.86 HRH3 (0.43) MAPK1HRH3HRH1CCR3KMT2A
SCHEMBL4014868 0.84 KMT2A (0.46) MAPK1HRH3HRH1CCR3KMT2A
SCHEMBL4015725 0.83 HRH3 (0.38) HRH3HRH1CCR3KMT2AMEN1
SCHEMBL3814183 0.83 MAPK1 (0.51) MAPK1UTS2RHRH3HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US claimed
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 MAPK1 2589/4885UTS2R 234/4885HRH3 3/4885

“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.