SCHEMBL5386641

SCHEMBL5386641

Cc1ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
SCN9A Q15858 1/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5376597 1.00 PLG (0.41) PLGKLK1KLK6F2F10
SCHEMBL5390904 0.94 PLG (0.40) PLGKLK1KLK6F2F10
SCHEMBL5381117 0.91 KMT2A (0.36) ALOX15SMN1; SMN2SCN9AKMT2ACAMK1D
SCHEMBL5383371 0.91 KMT2A (0.36) ALOX15SMN1; SMN2SCN9AKMT2ACAMK1D
SCHEMBL5391133 0.91 PLG (0.48) PLGKLK1KLK6F2F10
SCHEMBL14503827 0.89 SCN9A (0.41) PLGF2F10PLAUPLAT
SCHEMBL5375652 0.89 SCN9A (0.41) PLGF2F10PLAUPLAT
SCHEMBL5397163 0.89 SCN9A (0.37) SMN1; SMN2SCN9ACA12CA1CA2
SCHEMBL5380923 0.89 MAPT (0.41) HTTSMN1; SMN2LMNASCN9AKMT2A
SCHEMBL5392090 0.89 KLKB1 (0.43) SMN1; SMN2SCN9AMAPTCAMK1DTSHR

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 10 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 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 PLG 4709/4885KLK1 2917/4885KLK6 2107/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PLG 4254/4885KLK1 2416/4885KLK6 2076/4885

“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.