SCHEMBL5386309

SCHEMBL5386309

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccnc4O)c(Cl)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 4/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
TSHR P16473 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
SCHEMBL5382599 0.91 KDM6A (0.36) GRM4SMN1; SMN2MAPTALDH1A1SCN9A
SCHEMBL5454246 0.90 MET (0.42) GRM4SCN9AIRAK4
SCHEMBL5454273 0.90 MET (0.42) GRM4SCN9AIRAK4
SCHEMBL5446999 0.88 EGLN1 (0.45) GRM4SMN1; SMN2MAPT
SCHEMBL5446978 0.88 EGLN1 (0.45) GRM4SMN1; SMN2MAPT
SCHEMBL5433955 0.88 SCN9A (0.42) SMN1; SMN2SCN9AIRAK4TSHR
SCHEMBL5433935 0.88 SCN9A (0.42) SMN1; SMN2SCN9AIRAK4TSHR
SCHEMBL5378015 0.87 KDM6A (0.42) SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL5450780 0.86 SCN9A (0.39) GRM4SMN1; SMN2MAPTSCN9AIRAK4
SCHEMBL5376145 0.86 SCN9A (0.39) GRM4SMN1; SMN2MAPTSCN9AIRAK4

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 GRM4 4233/4885SMN1; SMN2 3797/4885MAPT 2536/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GRM4 4244/4885SMN1; SMN2 4041/4885MAPT 2630/4885

“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.