SCHEMBL5383376

SCHEMBL5383376

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4ccc(F)cc4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SCN9A Q15858 7/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
P2RX1 P51575 1/20 0.38
PTPN11 Q06124 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SNCA P37840 1/20 0.37
NPC1 O15118 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
SCHEMBL5396930 0.94 CA12 (0.42) CA12CA1CA2CA9SCN9A
SCHEMBL5387068 0.92 LMNA (0.39) CA12CA1CA2CA9SCN9A
SCHEMBL5381063 0.91 KLKB1 (0.44) CA12CA1CA2CA9SCN9A
SCHEMBL14440372 0.91 KLKB1 (0.42) CA12CA1CA2CA9SCN9A
SCHEMBL5397163 0.91 SCN9A (0.37) CA12CA1CA2CA9SCN9A
SCHEMBL5396101 0.90 SCN9A (0.39) SCN9AMAPTMEN1KMT2AIDH2
SCHEMBL5386628 0.89 PLAU (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL5453190 0.89 CA12 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL5384012 0.89 KDM1A (0.39) CA12CA1CA2CA9SCN9A
SCHEMBL5396786 0.88 P2RX1 (0.43) CA12CA1CA2CA9SCN9A

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 11 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
US-20050239204-A1 Multifunctional molecular complexes for gene transfer to cells WYETH (US) 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
US-6379965-B1 NUCLEIC ACID NONCOVALENTLY ASSOCIATED WITH A POLYAMINE COMPOUND THAT IS COVALENTLY ATTACHED TO AN ENDOSOME DISRUPTING AGENT SUCH AS CHOLIC ACID; NONVIRAL VECTORS AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
WO-1996010038-A1 MULTIFUNCTIONAL MOLECULAR COMPLEXES FOR GENE TRANSFER TO CELLS APOLLON, INC. (US) 1996-04-04 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 CA12 4832/4885CA1 4865/4885CA2 4432/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CA12 4536/4885CA1 4538/4885CA2 3795/4885

“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.