SCHEMBL4019964

SCHEMBL4019964

O=C(c1oc2cc(OC3CCN(C4CCC4)CC3)c(Cl)cc2c1-c1ccccc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HRH1 P35367 6/20 0.39
CCR3 P51677 6/20 0.39
ATM Q13315 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
UTS2R Q9UKP6 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4013755 0.92 MAPK1 (0.38) MAPK1HRH1CCR3HRH3MEN1
SCHEMBL3814183 0.91 MAPK1 (0.51) MAPK1HRH1CCR3ATMHRH3
SCHEMBL3646023 0.88 MAPK1 (0.48) MAPK1HRH1CCR3ATMHRH3
SCHEMBL4026678 0.86 MAPK1 (0.49) MAPK1HRH1CCR3ATMHRH3
SCHEMBL4014868 0.86 KMT2A (0.46) MAPK1HRH1CCR3HRH3MEN1
SCHEMBL4015725 0.84 HRH3 (0.38) HRH1CCR3HRH3MEN1KMT2A
SCHEMBL3644828 0.81 MAPK1 (0.41) MAPK1HRH1CCR3ATMHRH3
SCHEMBL3803258 0.81 MAPK1 (0.38) MAPK1HRH1CCR3HRH3MEN1
SCHEMBL3645576 0.80 UTS2R (0.40) MAPK1HRH1CCR3HRH3UTS2R
SCHEMBL4017237 0.79 HRH3 (0.44) HRH1CCR3HRH3UTS2R

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-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 2589/4885HRH1 8/4885CCR3 1753/4885

“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.