SCHEMBL5103409

SCHEMBL5103409

CCc1nn(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c2cc(N3CCNCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.50
NOD2 Q9HC29 2/20 0.50
NOD1 Q9Y239 2/20 0.50
KHK P50053 1/20 0.46
MAPK1 P28482 1/20 0.44
PTPN11 Q06124 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 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
SCHEMBL5097229 0.79 KHK (0.66) KHKDRD3HTR6
SCHEMBL3338516 0.78 MAPK1 (0.52) TNFNOD2NOD1MAPK1POLB
SCHEMBL5097538 0.78 TNF (0.50) TNFNOD2NOD1MAPK1ATM
SCHEMBL5094990 0.77 KHK (0.47) NOD2KHKHTR6
SCHEMBL5091056 0.77 TNF (0.55) TNFNOD2NOD1MAPK1ATM
SCHEMBL14100641 0.76 KHK (0.48) NOD2KHKHTR6
SCHEMBL5103448 0.75 KHK (0.55) KHKHTR6
SCHEMBL5097602 0.75 TNF (0.51) TNFNOD2NOD1MAPK1ATM
SCHEMBL5097186 0.74 KHK (0.52) KHKHTR6
SCHEMBL14100642 0.73 RXFP1 (0.49) KHKPOLBDRD3

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
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US claimed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
WO-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 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-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A TNF 4643/4885NOD2 2893/4885NOD1 3816/4885

“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.