SCHEMBL14428560

SCHEMBL14428560

COc1cc(CNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
PRKCQ Q04759 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 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
SCHEMBL5383927 0.88 APP (0.45) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5383926 0.86 ALOX15 (0.43) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5383328 0.83 SSTR2 (0.41) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5376334 0.82 ALOX15 (0.52) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5380866 0.81 MAPT (0.49) TSHRNPSR1LMNADHFRHTT
SCHEMBL14504429 0.79 NPSR1 (0.56) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5386579 0.78 HTT (0.46) NPSR1LMNAALDH1A1HTTMEN1
SCHEMBL5383700 0.78 CTSS (0.53) LMNAALDH1A1HTTGAASMN1; SMN2
SCHEMBL5382238 0.78 HTT (0.40) TSHRNPSR1ALOX15LMNAPOLB
SCHEMBL5383818 0.78 IDH2 (0.41) TSHRLMNAALDH1A1HTTKMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TSHR 4325/4885NPSR1 3969/4885ALOX15 2890/4885

“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.