SCHEMBL14440372

SCHEMBL14440372

Nc1ccc(NC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.42
SCN9A Q15858 3/20 0.39
CAMK1D Q8IU85 1/20 0.38
SNCA P37840 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PNLIP P16233 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KDM6A O15550 1/20 0.36
PLG P00747 3/20 0.35
KLK1 P06870 3/20 0.35
KLK6 Q92876 3/20 0.35
IDH2 P48735 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 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
SCHEMBL5387068 0.93 LMNA (0.39) KLKB1SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5381063 0.92 KLKB1 (0.44) KLKB1SCN9ATSHRSMN1; SMN2PNLIP
SCHEMBL5383376 0.91 CA12 (0.42) SCN9ASNCACA12CA1CA2
SCHEMBL5386628 0.90 PLAU (0.40) KLKB1SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5453190 0.89 CA12 (0.48) CA12CA1CA2CA9
SCHEMBL5384012 0.89 KDM1A (0.39) SCN9ACAMK1DTSHRSMN1; SMN2CA12
SCHEMBL5392718 0.89 ALOX15 (0.42) KLKB1CAMK1DSMN1; SMN2CA12CA1
SCHEMBL5380879 0.89 MEN1 (0.47) KLKB1SCN9APNLIP
SCHEMBL5396945 0.89 EGLN1 (0.42) SCN9AEGLN1
SCHEMBL5388147 0.87 TSHR (0.41) KLKB1SCN9ATSHRSMN1; SMN2PNLIP

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 KLKB1 4506/4885SCN9A 4552/4885CAMK1D 4720/4885

“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.