SCHEMBL5383219

SCHEMBL5383219

N[C@@H]1C[C@H](N)CN(c2nc(NCCCn3ccnc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ SOD1 P00441 3/20 0.43
▸ QPCT Q16769 5/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ LMNA P02545 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
SCHEMBL14504174 0.81 ALOX15 (0.52) ALOX15SOD1QPCTPIM1ALDH1A1
SCHEMBL5445977 0.77 SMN1; SMN2 (0.42) QPCTALDH1A1NAMPTL3MBTL1CYP1A2
SCHEMBL5376397 0.77 TSHR (0.42) ALOX15TSHRLMNACA12CA1
SCHEMBL5033308 0.77 SOD1 (0.52) ALOX15SOD1QPCTPIM1ALDH1A1
SCHEMBL5464518 0.76 TSHR (0.41) TSHRLMNA
SCHEMBL5375711 0.73 LMNA (0.59) ALOX15CYP1A2TSHRLMNACA1
SCHEMBL4288284 0.72 SOD1 (0.52) ALOX15SOD1QPCTPIM1ALDH1A1
SCHEMBL5378116 0.71 MKNK1 (0.42) ALDH1A1HSD17B10TSHRLMNA
SCHEMBL5388835 0.70 SLC2A1 (0.50) ALDH1A1L3MBTL1HSD17B10CYP1A2CYP3A4
SCHEMBL5383971 0.70 LMNA (0.43) ALOX15ALDH1A1L3MBTL1CYP1A2TP53

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 4 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-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 ALOX15 2890/4885SOD1 985/4885QPCT 150/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ALOX15 2658/4885SOD1 1043/4885QPCT 116/4885

“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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