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SCHEMBL5382803

SCHEMBL5382803

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)cc2O)c(O)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.36
▸ CAMK1D Q8IU85 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ KIF18A Q8NI77 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ IDH2 P48735 3/20 0.33

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 0.91 SCN9A (0.39) SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5376145 0.91 SCN9A (0.39) SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5384002 0.89 PTGS2 (0.39) CAMK1DALDH1A1SMN1; SMN2PTGS2SCN10A
SCHEMBL5376597 0.88 PLG (0.41) SCN9ACAMK1DALDH1A1TSHRSMN1; SMN2
SCHEMBL5386641 0.88 PLG (0.41) SCN9ACAMK1DALDH1A1TSHRSMN1; SMN2
SCHEMBL5401187 0.88 SCN9A (0.37) SCN9ACAMK1DTSHRSMN1; SMN2JAK2
SCHEMBL5401162 0.88 SCN9A (0.37) SCN9ACAMK1DTSHRSMN1; SMN2JAK2
SCHEMBL5392262 0.87 IDH2 (0.38) SCN9ACAMK1DSCN10AIDH2
SCHEMBL5383371 0.86 KMT2A (0.36) SCN9ACAMK1DALDH1A1TSHRSMN1; SMN2
SCHEMBL5381117 0.86 KMT2A (0.36) SCN9ACAMK1DALDH1A1TSHRSMN1; SMN2

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 4552/4885CAMK1D 4720/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885CAMK1D 4367/4885ALDH1A1 2096/4885

“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.