Sugi Predict

Sugi Predict / Compounds / SCHEMBL5387463

SCHEMBL5387463

SCHEMBL5387463

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](CN)C[C@H](CN)C4)n3)cc2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ SCN9A Q15858 9/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYBB P04839 1/20 0.34
▸ NOX5 Q96PH1 1/20 0.34

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
SCHEMBL5380923 0.93 MAPT (0.41) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5390722 0.93 SCN9A (0.40) SCN9A
SCHEMBL14503569 0.92 MAPT (0.40) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5391464 0.92 MAPT (0.40) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL14428629 0.91 MAPT (0.39) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5391801 0.90 MAPT (0.35) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5384918 0.90 MAPT (0.38) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5391100 0.89 CAMK1D (0.39) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL14428604 0.89 CAMK1D (0.39) MAPTCHRM2CHRM4CHRM1SCN9A
SCHEMBL5400876 0.89 CAMK1D (0.39) MAPTCHRM2CHRM4CHRM1SCN9A

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 MAPT 2536/4885CHRM2 4728/4885CHRM4 4424/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPT 2630/4885CHRM2 4778/4885CHRM4 4617/4885

“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.