SCHEMBL3620477

SCHEMBL3620477

C=Cc1c(OC)ccc2c1cc(C(=O)OCC)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.53
NOD1 Q9Y239 4/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.45
MTNR1B P49286 1/20 0.45
PTGDR Q13258 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
MCL1 Q07820 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HTR6 P50406 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL3622335 0.92 NOD2 (0.53) NOD2NOD1NPC1RAB9ASMN1; SMN2
SCHEMBL3622768 0.87 NOD2 (0.53) NOD2NOD1NPC1RAB9ASMN1; SMN2
SCHEMBL11927322 0.79 NOD2 (0.66) NOD2NOD1SMN1; SMN2KMT2AMTNR1B
SCHEMBL3620798 0.79 NOD2 (0.46) NOD2NOD1NPC1RAB9ASMN1; SMN2
SCHEMBL10002830 0.78 NOD2 (0.64) NOD2NOD1NPC1RAB9ASMN1; SMN2
SCHEMBL10003774 0.78 NOD2 (0.60) NOD2NOD1SMN1; SMN2KMT2AMTNR1B
SCHEMBL10004275 0.78 NOD2 (0.60) NOD2NOD1KMT2AMTNR1BPTGDR
SCHEMBL7217211 0.77 NOD2 (0.60) NOD2NOD1NPC1RAB9ASMN1; SMN2
SCHEMBL11905497 0.76 NOD2 (0.58) NOD2NOD1KMT2AMTNR1BPTGDR
SCHEMBL2542152 0.76 NOD2 (0.86) NOD2NOD1SMN1; SMN2KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A NOD2 1873/4885NOD1 1857/4885NPC1 678/4885

“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.