SCHEMBL13323722

SCHEMBL13323722

O=C1CCc2ccc(S)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.62
NPC1 O15118 1/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAOB P27338 12/20 0.48
MAOA P21397 10/20 0.48
CRBN Q96SW2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8557027 0.85 NPC1 (0.55) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL19042841 0.82 AHR (0.61) CA9CRBNSMYD3
SCHEMBL994528 0.81 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL2616856 0.77 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL2395389 0.77 AHR (0.70) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL1025832 0.77 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL8103853 0.77 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL521524 0.77 CA9 (1.00) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL8751 0.77 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL2220942 0.77 CMA1 (0.70) CA9NPC1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 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 (6 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-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B CA9 4701/4885NPC1 3069/4885MAPK13 3518/4885
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR3A CA9 4695/4885NPC1 1818/4885MAPK13 2714/4885
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B CA9 4818/4885NPC1 3421/4885MAPK13 4312/4885
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B CA9 4766/4885NPC1 3121/4885MAPK13 3546/4885
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B CA9 4648/4885NPC1 2312/4885MAPK13 3483/4885
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B CA9 4493/4885NPC1 3909/4885MAPK13 2732/4885

“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.