SCHEMBL14428801

SCHEMBL14428801

CCCCCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.34
GHSR Q92847 2/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 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
SCHEMBL5396855 0.93 CA1 (0.45) CA1CA2CA7CA14KMT2A
SCHEMBL14428802 0.87 AKT1 (0.44) CA1CA2KMT2AMAPTALDH1A1
SCHEMBL14428565 0.83 MAPK1 (0.37) ALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL5380530 0.83 LMNA (0.43) CA1CA2CA7CA14KMT2A
SCHEMBL14440557 0.82 MAPT (0.38) CA1CA2KMT2AMAPTALDH1A1
SCHEMBL14504247 0.81 CA1 (0.45) CA1CA2CA7CA14KMT2A
SCHEMBL5400741 0.80 AKT1 (0.44) CA1CA2KMT2AMAPTALDH1A1
SCHEMBL5396837 0.80 CA1 (0.43) CA1CA2KMT2AMAPTALDH1A1
SCHEMBL5391073 0.77 MAPT (0.43) CA1CA2KMT2AMAPTALDH1A1
SCHEMBL5376411 0.76 HTT (0.40) CA1CA2CA7CA14KMT2A

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 2 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

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 CA1 4865/4885CA2 4432/4885CA7 3980/4885

“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.