Sugi Predict

Sugi Predict / Compounds / SCHEMBL5378797

SCHEMBL5378797

SCHEMBL5378797

NC[C@@H]1C[C@@H](O)CN1c1nc(Nc2ccc3c(c2)C(=O)c2ccccc2-3)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 8/20 0.35
▸ CAMK1D Q8IU85 2/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL5386971 0.93 IDH2 (0.37) IDH2NPC1RAB9AALDH1A1HTT
SCHEMBL14428645 0.93 IDH2 (0.37) IDH2NPC1RAB9AALDH1A1HTT
SCHEMBL5388915 0.87 CAMK1D (0.39) IDH2CAMK1DNPC1RAB9AALDH1A1
SCHEMBL14428648 0.87 IDH2 (0.36) IDH2CAMK1DNPC1RAB9AALDH1A1
SCHEMBL5386205 0.87 IDH2 (0.36) IDH2CAMK1DNPC1RAB9AALDH1A1
SCHEMBL5386828 0.86 IDH2 (0.43) IDH2NPC1RAB9AALDH1A1HTT
SCHEMBL5380861 0.85 IDH2 (0.43) IDH2NPC1RAB9AALDH1A1HTT
SCHEMBL14503489 0.84 IDH2 (0.42) IDH2CAMK1DNPC1RAB9AHTT
SCHEMBL5387649 0.84 IDH2 (0.40) IDH2NPC1RAB9AALDH1A1HTT
SCHEMBL5375781 0.84 IDH2 (0.38) IDH2NPC1RAB9AALDH1A1HTT

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 IDH2 3327/4885CAMK1D 4720/4885NPC1 3226/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IDH2 3493/4885CAMK1D 4367/4885NPC1 2574/4885

“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.