SCHEMBL5381914

SCHEMBL5381914

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)CC(=O)Nc4ccccc4F)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.45
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ AURKA O14965 3/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RET P07949 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIM1 P11309 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
SCHEMBL5381360 0.89 TSHR (0.47) BACE1KMT2APOLBAURKAPTGS2
SCHEMBL5388805 0.88 POLB (0.51) KMT2APOLBAURKAALDH1A1SCN9A
SCHEMBL5383873 0.88 NPC1 (0.40) BACE1KMT2APKMPTGS2SCN9A
SCHEMBL5383968 0.88 KMT2A (0.44) BACE1KMT2APTGS2TSHRNPSR1
SCHEMBL5382246 0.87 CA12 (0.43) BACE1KMT2APTGS2NPSR1LMNA
SCHEMBL5387661 0.86 TSHR (0.46) BACE1KMT2APOLBAURKAPTGS2
SCHEMBL5392664 0.86 KMT2A (0.48) BACE1KMT2APTGS2NPSR1LMNA
SCHEMBL5383918 0.86 PTGS2 (0.39) BACE1KMT2APOLBPTGS2TSHR
SCHEMBL14428581 0.86 PTGS2 (0.39) BACE1KMT2APOLBPTGS2TSHR
SCHEMBL5378643 0.86 TSHR (0.45) BACE1KMT2APOLBAURKAPTGS2

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 BACE1 2514/4885KMT2A 3738/4885POLB 760/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BACE1 3134/4885KMT2A 3545/4885POLB 284/4885

“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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