SCHEMBL5435536

SCHEMBL5435536

Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.45
CYBB P04839 1/20 0.43
NOX5 Q96PH1 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
IDH2 P48735 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL5453221 1.00 POLA1 (0.45) POLA1CYBBNOX5NOX3NOX4
SCHEMBL5453216 1.00 POLA1 (0.45) POLA1CYBBNOX5NOX3NOX4
SCHEMBL5388529 0.94 TDP1 (0.48) POLA1TDP1CA12CA1CA2
SCHEMBL5395892 0.94 TDP1 (0.48) POLA1TDP1CA12CA1CA2
SCHEMBL5384614 0.87 IDH2 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL5462440 0.85 IDH2 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL5392080 0.85 TDP1 (0.64) TDP1CA12CA1CA2CA9
SCHEMBL14428053 0.85 TDP1 (0.44) POLA1TDP1CA12CA1CA2
SCHEMBL5387990 0.85 TDP1 (0.42) POLA1TDP1CA12CA1CA2
SCHEMBL5375961 0.84 MAPT (0.50) TDP1TSHRSMN1; SMN2MAPK1MEN1

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 POLA1 1277/4885CYBB 3085/4885NOX5 452/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD POLA1 659/4885CYBB 3051/4885NOX5 1019/4885

“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.