Sugi Predict

Sugi Predict / Compounds / SCHEMBL5384074

SCHEMBL5384074

SCHEMBL5384074

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCC(C(N)=O)CC4)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
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ SCN9A Q15858 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ CYBB P04839 1/20 0.37
▸ NOX5 Q96PH1 1/20 0.37
▸ NOX3 Q9HBY0 1/20 0.37
▸ NOX4 Q9NPH5 1/20 0.37

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
SCHEMBL5448627 0.93 SCN9A (0.43) KDM4ETSHRPTGS2SCN9ALMNA
SCHEMBL5380923 0.93 MAPT (0.41) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL14503569 0.92 MAPT (0.40) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL5391464 0.92 MAPT (0.40) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL5439327 0.91 CTNNB1 (0.45) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL14503664 0.90 PTGS2 (0.49) KDM4EPOLBALDH1A1TSHRCCNE1
SCHEMBL14428629 0.90 MAPT (0.39) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL5378133 0.89 CTNNB1 (0.40) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL5384918 0.89 MAPT (0.38) KDM4EPOLBALDH1A1CCNE1CDK2
SCHEMBL5380874 0.89 ALDH1A1 (0.46) KDM4EPOLBALDH1A1PTGS2SCN9A

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 4 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
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

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 KDM4E 2224/4885POLB 760/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KDM4E 2873/4885POLB 284/4885ALDH1A1 2096/4885

“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.