SCHEMBL5439240

SCHEMBL5439240

NC[C@@H]1C[C@H](N)CN1c1nc(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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14428745 0.94 PTGS2 (0.33) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL5376171 0.94 PTGS2 (0.33) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL5395796 0.94 MAP4K2 (0.35) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL14428581 0.93 PTGS2 (0.39) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL5383918 0.93 PTGS2 (0.39) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL5391820 0.86 SMN1; SMN2 (0.37) LMNAMAPTALDH1A1CYP1A2TSHR
SCHEMBL5383335 0.85 SCN9A (0.36) PTGS2MEN1KMT2ABACE1SCN9A
SCHEMBL5387073 0.85 TSHR (0.41) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL5391908 0.85 SMN1; SMN2 (0.41) PTGS2MEN1KMT2ALMNAMAPT
SCHEMBL5382050 0.83 TSHR (0.42) PTGS2MEN1KMT2AMAPTALDH1A1

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 PTGS2 4416/4885MEN1 3779/4885KMT2A 3738/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTGS2 4131/4885MEN1 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.

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