SCHEMBL5391472

SCHEMBL5391472

Cc1ccc(C(=O)Nc2ccc(Nc3nc(NCCN4CCNC4=O)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GBA1 P04062 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTNNB1 P35222 4/20 0.33
▸ TCF7L2 Q9NQB0 4/20 0.33
▸ F10 P00742 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL5387481 0.93 F10 (0.40) RAB9AKMT2AGBA1MAPTLMNA
SCHEMBL5380923 0.84 MAPT (0.41) RAB9AKMT2AMAPTLMNAKDM4E
SCHEMBL14503630 0.84 KMT2A (0.45) RAB9AKMT2AGBA1MAPTNPSR1
SCHEMBL14503569 0.83 MAPT (0.40) RAB9AKMT2AMAPTLMNAKDM4E
SCHEMBL5391464 0.83 MAPT (0.40) RAB9AKMT2AMAPTLMNAKDM4E
SCHEMBL5391086 0.83 NAMPT (0.40) KMT2AGBA1LMNAKDM4EGAA
SCHEMBL5378133 0.83 CTNNB1 (0.40) KMT2AMAPTLMNAKDM4EALDH1A1
SCHEMBL14503581 0.82 GBA1 (0.49) GBA1MAPTLMNAKDM4EALDH1A1
SCHEMBL14428629 0.82 MAPT (0.39) RAB9AKMT2AMAPTLMNAKDM4E
SCHEMBL5384918 0.81 MAPT (0.38) RAB9AKMT2AMAPTLMNAKDM4E

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 RAB9A 1848/4885KMT2A 3738/4885GBA1 2717/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD RAB9A 3006/4885KMT2A 3545/4885GBA1 2925/4885

“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.

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