SCHEMBL3146209

SCHEMBL3146209

COC(=O)c1ccc2ccn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
FGFR4 P22455 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3137791 0.87 HTR6 (0.55) HTR6HTR1ADRD2FGFR4POLB
SCHEMBL3363534 0.84 FGFR4 (0.51) HTR6HTR1ADRD2FGFR4SMN1; SMN2
SCHEMBL9372377 0.82 CPT1A (0.54) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL30955477 0.82 CPT1A (0.54) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL3145438 0.81 MEN1 (0.54) HTR6SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2254417 0.81 MEN1 (0.64) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL3363394 0.80 HTR6 (0.52) HTR6HTR1ADRD2FGFR4SMN1; SMN2
SCHEMBL1645102 0.77 MRGPRX4 (0.60) MRGPRX4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1063179 0.75 ALDH1A1 (0.67) MRGPRX4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17913557 0.74 RAPGEF4 (0.61) HTR6SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP claimed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US claimed
EP-2118060-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2009-11-18 EP claimed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 WO claimed
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US disclosed
EP-2118060-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2009-11-18 EP disclosed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 WO 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-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 HTR6 85/4885HTR1A 164/4885DRD2 809/4885

“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.