SCHEMBL3621074

SCHEMBL3621074

O=S(=O)(c1cccs1)n1ccc2c(CN3CCCC3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.43
HTR1A P08908 2/20 0.42
ACHE P22303 2/20 0.42
HTR7 P34969 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3620647 0.98 HTR6 (0.57) HTR6CYP3A4CYP2D6RAB9APKM
Trifluoroacetic Acid SCHEMBL3622318 0.91 HTR6 (0.52) HTR6CYP3A4CYP2D6RAB9AHTR1A
SCHEMBL3623167 0.90 HTR6 (0.69) HTR6CYP3A4CYP2D6RAB9A
Trifluoroacetic Acid SCHEMBL3625913 0.89 HTR6 (0.52) HTR6CYP3A4CYP2D6RAB9AHTR1A
SCHEMBL3622721 0.88 HTR6 (0.61) HTR6CYP3A4CYP2D6RAB9AHTR1A
Trifluoroacetic Acid SCHEMBL3627076 0.81 HTR6 (0.55) HTR6CYP3A4CYP2D6RAB9AHTR1A
SCHEMBL3624442 0.81 HTR6 (0.80) HTR6CYP3A4CYP2D6HTR1AHTR7
SCHEMBL3624420 0.80 HTR6 (0.53) HTR6CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3623213 0.79 HTR6 (0.51) HTR6CYP3A4CYP2D6HTR1AHTR7
SCHEMBL3621706 0.78 HTR6 (0.80) HTR6CYP3A4CYP2D6HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
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
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885CYP3A4 405/4885CYP2D6 107/4885

“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.