SCHEMBL5386722

SCHEMBL5386722

COc1cc(CCNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.58
ALOX15 P16050 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 1/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CETP P11597 2/20 0.51
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TAAR1 Q96RJ0 2/20 0.45
GLA P06280 1/20 0.44
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL14504383 0.84 LMNA (0.81) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5376334 0.83 ALOX15 (0.52) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5383926 0.77 ALOX15 (0.43) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5383927 0.75 APP (0.45) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5401209 0.74 GAA (0.47) TSHRLMNAALOX15NPSR1GAA
SCHEMBL5383227 0.74 ALOX15 (0.41) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5375711 0.71 LMNA (0.59) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5386579 0.71 HTT (0.46) LMNANPSR1MEN1KMT2AGAA
SCHEMBL5384028 0.71 TSHR (0.41) TSHRLMNAALOX15NPSR1POLB
SCHEMBL5382198 0.70 HTT (0.47) LMNACETPGAAHTTSMN1; SMN2

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 TSHR 4325/4885LMNA 4065/4885ALOX15 2890/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885LMNA 4008/4885ALOX15 2658/4885

“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.