Sugi Predict

Sugi Predict / Compounds / SCHEMBL5384673

SCHEMBL5384673

SCHEMBL5384673

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4O)cc3O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.42
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ G6PD P11413 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL5426708 0.92 CRHBP (0.44) P2RX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL5392404 0.90 P2RX1 (0.45) P2RX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL5388910 0.90 P2RX1 (0.44) P2RX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL5384671 0.87 CRHBP (0.46) P2RX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL14503972 0.86 ALDH1A1 (0.51) P2RX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL5391257 0.84 CRHBP (0.45) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL5382983 0.82 TERT (0.40) KMT2AMEN1RAB9ANPC1
SCHEMBL5391098 0.80 KLKB1 (0.41) P2RX1
SCHEMBL5384742 0.80 KDR (0.40) P2RX1KMT2AMEN1LMNA
SCHEMBL5383176 0.79 TERT (0.53) P2RX1KMT2AMEN1RAB9ANPC1

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 4 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-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 P2RX1 909/4885KMT2A 3738/4885MEN1 3779/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD P2RX1 1202/4885KMT2A 3545/4885MEN1 2632/4885

“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.