SCHEMBL5383203

SCHEMBL5383203

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccc(Br)c4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.45
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ABL1 P00519 1/20 0.40
TSHR P16473 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM5 P41594 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
SCN9A Q15858 4/20 0.38
HTT P42858 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 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
SCHEMBL5392542 0.90 KMT2A (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5400593 0.89 SCN9A (0.43) MEN1KMT2AGRM5RAB9ANPC1
SCHEMBL5375839 0.86 PLAU (0.40) BCL6KMT2AMAPTTSHRRAB9A
SCHEMBL5383352 0.86 DEGS1 (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5375890 0.85 SCN9A (0.43) MEN1KMT2AMAPTTSHRRAB9A
SCHEMBL14503317 0.85 MEN1 (0.51) BCL6MEN1KMT2AMAPTABL1
SCHEMBL5380923 0.84 MAPT (0.41) MEN1KMT2AMAPTTDP1RAB9A
SCHEMBL5376218 0.84 TSHR (0.39) KMT2ATSHRSCN9ASMN1; SMN2IDH2
SCHEMBL5381013 0.84 SCN9A (0.42) MEN1KMT2AMAPTTSHRRAB9A
SCHEMBL5391464 0.84 MAPT (0.40) MEN1KMT2AMAPTTDP1RAB9A

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 8 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
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 BCL6 2989/4885MEN1 3779/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BCL6 3789/4885MEN1 2632/4885KMT2A 3545/4885

“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.