SCHEMBL5378114

SCHEMBL5378114

Cc1nc(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)oc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
HSD11B1 P28845 1/20 0.44
CA12 O43570 11/20 0.43
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
CA9 Q16790 11/20 0.43
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 4/20 0.35
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL14503557 0.84 PTGS2 (0.50) EPHX2HSD11B1CA12CA1CA2
SCHEMBL5392403 0.82 EDNRA (0.51) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5401247 0.80 MAPK1 (0.54) EPHX2LMNACYP2C9KMT2A
SCHEMBL5378518 0.79 ALDH1A1 (0.53) HSD11B1LMNASMN1; SMN2
SCHEMBL5381880 0.78 CA1 (0.64) CA12CA1CA2CA9
SCHEMBL5392577 0.77 CA1 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL5382192 0.77 LMNA (0.52) CA12CA1CA2CA9LMNA
SCHEMBL5378489 0.77 KDM4E (0.48) CA12CA1CA2CA9LMNA
SCHEMBL5391342 0.76 PIK3R1 (0.52) LMNACYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL14428525 0.75 LMNA (0.58) 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 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 EPHX2 3846/4885HSD11B1 4646/4885CA12 4832/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD EPHX2 2823/4885HSD11B1 4348/4885CA12 4536/4885

“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.