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Sugi Predict / Compounds / SCHEMBL5378133

SCHEMBL5378133

SCHEMBL5378133

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCNCC4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.40
▸ TCF7L2 Q9NQB0 2/20 0.40
▸ BRAF P15056 1/20 0.39
▸ MAPK14 Q16539 3/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ 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
▸ POLB P06746 3/20 0.37
▸ KDM4E B2RXH2 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
▸ NOX1 Q9Y5S8 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 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
SCHEMBL5380923 0.93 MAPT (0.41) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL14428054 0.93 CA12 (0.39) PTGS2LMNASMN1; SMN2POLBKMT2A
SCHEMBL5376376 0.93 CA12 (0.39) PTGS2LMNASMN1; SMN2POLBKMT2A
SCHEMBL5391464 0.92 MAPT (0.40) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL14503569 0.92 MAPT (0.40) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL14428629 0.91 MAPT (0.39) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5384918 0.90 MAPT (0.38) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5384074 0.89 KDM4E (0.42) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5380874 0.89 ALDH1A1 (0.46) CTNNB1TCF7L2PTGS2LMNACYP1A2
SCHEMBL5391100 0.89 CAMK1D (0.39) PTGS2LMNACYP1A2CYP3A4CYP2C9

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 5 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-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 CTNNB1 4224/4885TCF7L2 1856/4885BRAF 3724/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CTNNB1 4563/4885TCF7L2 3287/4885BRAF 3170/4885

“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.