SCHEMBL5391908

SCHEMBL5391908

COc1nc(Nc2ccc(C(=O)CC(=O)Nc3ccc(F)c(F)c3)cc2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC3 O15379 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL5383918 0.92 PTGS2 (0.39) CYP1A2CYP3A4CYP2C9MAPTMAPK1
SCHEMBL14428581 0.92 PTGS2 (0.39) CYP1A2CYP3A4CYP2C9MAPTMAPK1
SCHEMBL14503419 0.86 NPSR1 (0.53) SMN1; SMN2NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5387508 0.86 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5387734 0.85 SCN9A (0.40) SMN1; SMN2NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5395796 0.85 MAP4K2 (0.35) CYP1A2CYP3A4CYP2C9MAPTMAPK1
SCHEMBL5439240 0.85 PTGS2 (0.34) CYP1A2CYP3A4CYP2C9MAPTMAPK1
SCHEMBL5387073 0.84 TSHR (0.41) SMN1; SMN2CYP3A4MAPK1PIK3CAALDH1A1
SCHEMBL5376379 0.83 NPSR1 (0.43) SMN1; SMN2NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5382864 0.83 MEN1 (0.47) SMN1; SMN2NPSR1CYP3A4MAPTMAPK1

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 SMN1; SMN2 3797/4885NPSR1 3969/4885CYP1A2 1210/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SMN1; SMN2 4041/4885NPSR1 2974/4885CYP1A2 758/4885

“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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