SCHEMBL742658

SCHEMBL742658

O=S(=O)(c1ccc(Cl)s1)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.53
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 3/20 0.38
HTR2C P28335 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PNMT P11086 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL744465 0.91 HTR6 (0.46) HTR6L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL744095 0.85 HTR6 (0.45) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL743799 0.81 HTR6 (0.53) HTR6MAPTCYP3A4HTR2CHTR2A
SCHEMBL743984 0.80 CA2 (0.38) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL742667 0.80 HTR2C (0.54) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL742112 0.79 HTR6 (0.58) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL744445 0.79 HTR6 (0.61) HTR6CYP3A4HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL744550 0.78 HTR6 (0.39) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL739933 0.77 PNMT (0.39) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL742190 0.77 HTR2C (0.45) HTR6CYP3A4HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US claimed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP claimed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US claimed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO claimed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR6 1/4885L3MBTL1 4509/4885CYP1A2 307/4885

“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.