SCHEMBL5396807

SCHEMBL5396807

CCCCCCCCCC(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
CDK4 P11802 4/20 0.39
CCND3 P30281 4/20 0.39
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMA5 P28066 1/20 0.38
PSMB4 P28070 1/20 0.38
PSMB6 P28072 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB3 P49720 1/20 0.38
PSMB2 P49721 1/20 0.38
PSMA6 P60900 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
SCHEMBL5387709 0.99 EP300 (0.41) EP300CDK4CCND3PSMB11PSMA7
SCHEMBL5383855 0.93 ALDH1A1 (0.39) NPC1SMN1; SMN2ALDH1A1CYP2D6CYP2C9
SCHEMBL14504194 0.93 IDH2 (0.43) CDK4CCND3ENPP2CYP2C9CYP2C19
SCHEMBL5400308 0.91 DEGS1 (0.40) EP300CDK4CCND3NPC1CYP1A2
SCHEMBL5401391 0.91 SMN1; SMN2 (0.40) CDK4CCND3ENPP2NPC1SMN1; SMN2
SCHEMBL5392445 0.90 SMN1; SMN2 (0.40) CDK4CCND3NPC1SMN1; SMN2ALDH1A1
SCHEMBL5400741 0.89 AKT1 (0.44) CDK4CCND3SMN1; SMN2ALDH1A1CA1
SCHEMBL5400967 0.89 MEN1 (0.39) SMN1; SMN2ALDH1A1ABL1
SCHEMBL5382823 0.86 BACE1 (0.36) SMN1; SMN2CA1CA2
SCHEMBL5382840 0.86 BACE1 (0.36) SMN1; SMN2CA1CA2

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 8 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-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
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 EP300 1482/4885CDK4 2617/4885CCND3 925/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EP300 1194/4885CDK4 2058/4885CCND3 70/4885

“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.