SCHEMBL5380938

SCHEMBL5380938

Cc1ccc(NNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYBB P04839 1/20 0.37
NOX5 Q96PH1 1/20 0.37
NOX3 Q9HBY0 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GBA1 P04062 1/20 0.36
HTT P42858 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.33
CAMK1D Q8IU85 1/20 0.33

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
SCHEMBL14428525 0.87 LMNA (0.58) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL5381111 0.87 MEN1 (0.41) LMNASMN1; SMN2NPSR1GBA1HTT
SCHEMBL5387483 0.86 MAPT (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL5387045 0.86 LMNA (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL5453080 0.85 MEN1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL5377934 0.85 MEN1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C9MAPT
SCHEMBL5378924 0.84 HTT (0.51) LMNASMN1; SMN2CYP1A2MAPTNPSR1
SCHEMBL5388259 0.83 IDH2 (0.44) MAPTCHRNB4CHRNA3IDH2CA1
SCHEMBL5386579 0.80 HTT (0.46) LMNASMN1; SMN2MAPTNPSR1GBA1
SCHEMBL5388010 0.78 KMT2A (0.39) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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 LMNA 4065/4885SMN1; SMN2 3797/4885CYP1A2 1210/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LMNA 4008/4885SMN1; SMN2 4041/4885CYP1A2 758/4885

“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.