SCHEMBL5376145

SCHEMBL5376145

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2Cl)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CAMK1D Q8IU85 1/20 0.35
GRM4 Q14833 1/20 0.35
SYK P43405 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL5450780 1.00 SCN9A (0.39) SCN9ATDP1TSHRSMN1; SMN2CA12
SCHEMBL5382803 0.91 SCN9A (0.36) SCN9ATSHRSMN1; SMN2CAMK1D
SCHEMBL5392570 0.87 CA12 (0.37) SCN9ATSHRSMN1; SMN2CA12CA1
SCHEMBL5384002 0.87 PTGS2 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL5386309 0.86 GRM4 (0.43) SCN9ATSHRSMN1; SMN2GRM4MAPT
SCHEMBL5383083 0.86 SCN9A (0.42) SCN9ATSHRSMN1; SMN2CA12CA1
SCHEMBL14504080 0.86 PTGS2 (0.47) TDP1TSHRSMN1; SMN2CA12CA1
SCHEMBL5391334 0.84 GRM4 (0.42) SCN9ATSHRSMN1; SMN2CA12CA1
SCHEMBL5433955 0.84 SCN9A (0.42) SCN9ATSHRSMN1; SMN2CAMK1DSYK
SCHEMBL5433935 0.84 SCN9A (0.42) SCN9ATSHRSMN1; SMN2CAMK1DSYK

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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 (2 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 SCN9A 4552/4885TDP1 2209/4885TSHR 4325/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885TDP1 1488/4885TSHR 3906/4885

“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.