SCHEMBL4119679

SCHEMBL4119679

COC(=O)NC1CC(c2ccncc2)CCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
OGA O60502 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR4 P61073 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
PRCP P42785 1/20 0.38
CHRM4 P08173 1/20 0.38
GBA1 P04062 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6574663 0.93 OGA (0.43) SIGMAR1OGAHTTSMN1; SMN2CHRM4
SCHEMBL3406346 0.78 MAPT (0.46) SIGMAR1HRH3CCR5CXCR4TRPV6
SCHEMBL5850284 0.72 CCR5 (0.43) SIGMAR1HRH3CCR5CXCR4CYP1A2
SCHEMBL5672613 0.70 ACHE (0.54) ACHE
SCHEMBL5671758 0.70 KDM1A (0.49) SMN1; SMN2ACHE
SCHEMBL2768950 0.69 FKBP1A (0.54) CYP3A4GBA1
SCHEMBL9233648 0.69 KDM4E (0.45) SMN1; SMN2
SCHEMBL8844231 0.68 TRPV6 (0.57) SIGMAR1HRH3CCR5CXCR4CYP1A2
SCHEMBL6574223 0.68 MAPT (0.45) OGAHTTSMN1; SMN2HRH3
SCHEMBL11237070 0.68 SLC18A3 (0.42) SIGMAR1OGASMN1; SMN2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885OGA 1827/4885HTT 2146/4885

“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.