SCHEMBL5387045

SCHEMBL5387045

N[C@@H]1C[C@H](N)CN(c2nc(NNc3ccccc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 4/20 0.41
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
IDH2 P48735 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CTSD P07339 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5381111 0.87 MEN1 (0.41) LMNANPSR1HTTGAAKMT2A
SCHEMBL5448044 0.87 LMNA (0.60) LMNANPSR1HTTGAAKMT2A
SCHEMBL14428047 0.87 LMNA (0.60) LMNANPSR1HTTGAAKMT2A
SCHEMBL5387483 0.86 MAPT (0.41) NPSR1GAAKMT2AMAPTALDH1A1
SCHEMBL5380938 0.86 LMNA (0.44) LMNANPSR1HTTKMT2AMAPT
SCHEMBL5376199 0.84 LMNA (0.57) LMNANPSR1HTTGAAKMT2A
SCHEMBL5382180 0.84 IDH2 (0.41) LMNAHTTKMT2AMAPTTAAR1
SCHEMBL5383975 0.84 PAK4 (0.41) LMNAGAAKMT2AMAPTALDH1A1
SCHEMBL5378924 0.84 HTT (0.51) LMNANPSR1HTTGAAKMT2A
SCHEMBL5388259 0.82 IDH2 (0.44) MAPTIDH2CA1CA2

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 LMNA 4065/4885NPSR1 3969/4885HTT 949/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LMNA 4008/4885NPSR1 2974/4885HTT 516/4885

“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.