SCHEMBL5388147

SCHEMBL5388147

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4cc(Cl)c(O)c(Cl)c4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
SCN9A Q15858 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 1/20 0.37
PNLIP P16233 2/20 0.37
PLAU P00749 1/20 0.36
MELK Q14680 1/20 0.36
AURKA O14965 1/20 0.36
KLKB1 P03952 1/20 0.35

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
SCHEMBL5380979 0.93 CA12 (0.45) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5381063 0.91 KLKB1 (0.44) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5384951 0.90 SCN9A (0.43) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5375803 0.89 AURKA (0.44) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5387068 0.88 LMNA (0.39) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL14440372 0.87 KLKB1 (0.42) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5388843 0.87 FADS1 (0.46) SMN1; SMN2SCN9AKLKB1
SCHEMBL5382253 0.87 KLKB1 (0.48) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5383376 0.87 CA12 (0.42) CA12CA1CA2CA9SCN9A
SCHEMBL5383083 0.86 SCN9A (0.42) TSHRSMN1; SMN2CA12CA1CA2

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 TSHR 4325/4885SMN1; SMN2 3797/4885CA12 4832/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885SMN1; SMN2 4041/4885CA12 4536/4885

“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.