SCHEMBL5384671

SCHEMBL5384671

Cc1cc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
G6PD P11413 1/20 0.40
P2RX1 P51575 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C9 P11712 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
KCNMA1 Q12791 1/20 0.36
STAT3 P40763 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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 0.94 CRHBP (0.44) CRHBPCRHR2MAPTLMNAG6PD
SCHEMBL5376407 0.90 KDR (0.41) MAPTLMNAP2RX1MEN1KMT2A
SCHEMBL5392404 0.88 P2RX1 (0.45) CRHBPCRHR2MAPTLMNAG6PD
SCHEMBL5384146 0.88 TERT (0.38) LMNA
SCHEMBL5388910 0.88 P2RX1 (0.44) CRHBPCRHR2MAPTLMNAP2RX1
SCHEMBL5384673 0.87 P2RX1 (0.42) CRHBPCRHR2MAPTLMNAG6PD
SCHEMBL14503946 0.87 CRHBP (0.49) CRHBPCRHR2MAPTLMNAG6PD
SCHEMBL5391257 0.84 CRHBP (0.45) CRHBPCRHR2MAPTLMNAG6PD
SCHEMBL5384742 0.84 KDR (0.40) LMNAP2RX1MEN1KMT2A
SCHEMBL5391846 0.81 SCN9A (0.36) MAPTLMNAKMT2A

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 CRHBP 3156/4885CRHR2 4335/4885MAPT 2536/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CRHBP 1783/4885CRHR2 3270/4885MAPT 2630/4885

“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.