SCHEMBL5400741

SCHEMBL5400741

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)cc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPK1 P28482 1/20 0.38
CDK4 P11802 3/20 0.38
CCND3 P30281 3/20 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
SCHEMBL5396837 0.97 CA1 (0.43) AKT1CA1CA2SMN1; SMN2CA12
SCHEMBL5380778 0.93 MAPK1 (0.37) AKT1CA1CA2MEN1ALDH1A1
SCHEMBL14428802 0.92 AKT1 (0.44) AKT1CA1CA2SMN1; SMN2CA12
SCHEMBL14428800 0.89 MAPT (0.42) AKT1CA1CA2SMN1; SMN2CA12
SCHEMBL5396807 0.89 EP300 (0.42) CA1CA2SMN1; SMN2ALDH1A1CDK4
SCHEMBL5387709 0.88 EP300 (0.41) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL14504249 0.88 CA1 (0.47) AKT1CA1CA2SMN1; SMN2CA12
SCHEMBL5396855 0.87 CA1 (0.45) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL5392619 0.87 BRPF1 (0.46) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL5391073 0.86 MAPT (0.43) CA1CA2SMN1; SMN2CA12CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 AKT1 4351/4885CA1 4865/4885CA2 4432/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD AKT1 4441/4885CA1 4538/4885CA2 3795/4885

“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.