Sugi Predict

Sugi Predict / Compounds / SCHEMBL5383967

SCHEMBL5383967

SCHEMBL5383967

Cc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL5391270 0.88 MAPT (0.39) RAB9AHTTNPC1ALOX15MAPK1
SCHEMBL5383801 0.83 MAPT (0.39) RAB9AHTTNPC1ALOX15MAPK1
SCHEMBL5380654 0.83 GAA (0.58) RAB9AHTTNPC1MAPK1LMNA
SCHEMBL5391030 0.81 PLG (0.42) RAB9ANPC1ALOX15MAPK1L3MBTL1
SCHEMBL14428525 0.81 LMNA (0.58) RAB9AHTTNPC1MAPK1L3MBTL1
SCHEMBL5384843 0.80 KDM4E (0.39) HTTDPP4LMNAALDH1A1KDM4E
SCHEMBL5378863 0.79 HTT (0.47) HTTALOX15LMNANPSR1MAPT
SCHEMBL14503648 0.79 LMNA (0.63) RAB9AHTTNPC1ALOX15MAPK1
SCHEMBL5383222 0.78 HRH3 (0.42) RAB9AHTTNPC1ALOX15MAPK1
SCHEMBL5432113 0.78 MAPT (0.57) RAB9AHTTNPC1MAPK1L3MBTL1

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 RAB9A 1848/4885HTT 949/4885NPC1 3226/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD RAB9A 3006/4885HTT 516/4885NPC1 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.