SCHEMBL14428802

SCHEMBL14428802

CCCCCCCCCC(=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 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.38
CDK4 P11802 3/20 0.38
CCND3 P30281 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 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
SCHEMBL14428800 0.97 MAPT (0.42) AKT1SMN1; SMN2CA1CA2MAPT
SCHEMBL14428565 0.93 MAPK1 (0.37) AKT1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5400741 0.92 AKT1 (0.44) AKT1SMN1; SMN2CA1CA2MAPT
SCHEMBL14440557 0.91 MAPT (0.38) AKT1SMN1; SMN2CA1CA2MAPT
SCHEMBL5396837 0.89 CA1 (0.43) AKT1SMN1; SMN2CA1CA2MAPT
SCHEMBL14428801 0.87 CA1 (0.43) SMN1; SMN2CA1CA2MAPTMEN1
SCHEMBL5380778 0.85 MAPK1 (0.37) AKT1CA1CA2MEN1ALDH1A1
SCHEMBL5396807 0.82 EP300 (0.42) SMN1; SMN2CA1CA2ALDH1A1CDK4
SCHEMBL5387709 0.81 EP300 (0.41) SMN1; SMN2CA1CA2MAPTALDH1A1
SCHEMBL5396855 0.80 CA1 (0.45) SMN1; SMN2CA1CA2MAPTMEN1

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 AKT1 4351/4885SMN1; SMN2 3797/4885CA1 4865/4885

“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.