SCHEMBL5378518

SCHEMBL5378518

Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
PDE4A P27815 1/20 0.52
AGO2 Q9UKV8 1/20 0.52
SYK P43405 1/20 0.51
POLB P06746 3/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.43
GFER P55789 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
SCHEMBL5401247 0.82 MAPK1 (0.54) ALDH1A1LMNAPOLB
SCHEMBL5378489 0.80 KDM4E (0.48) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL5378114 0.79 EPHX2 (0.48) LMNASMN1; SMN2HSD11B1
SCHEMBL5392403 0.78 EDNRA (0.51)
SCHEMBL5376296 0.78 HRH3 (0.37) ALDH1A1PDE4AAGO2POLB
SCHEMBL5381880 0.78 CA1 (0.64)
SCHEMBL5392577 0.77 CA1 (0.48) ALDH1A1LMNAPOLB
SCHEMBL5382192 0.77 LMNA (0.52) KDM4ELMNASYKSMN1; SMN2
SCHEMBL5391342 0.76 PIK3R1 (0.52) ALDH1A1KDM4ELMNASYKSMN1; SMN2
SCHEMBL5391068 0.76 MEN1 (0.57) ALDH1A1POLBSMN1; 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 7 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 ALDH1A1 2233/4885KDM4E 2224/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ALDH1A1 2096/4885KDM4E 2873/4885LMNA 4008/4885

“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.