SCHEMBL5401247

SCHEMBL5401247

Cc1ccnc(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)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 1/20 0.53
FASN P49327 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX2 P34913 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL14503530 0.84 MAPK1 (0.58) MAPK1MAPTCYP2C9ALDH1A1FASN
SCHEMBL5382192 0.82 LMNA (0.52) MAPK1MAPTKMT2ATDP1LMNA
SCHEMBL5378518 0.82 ALDH1A1 (0.53) ALDH1A1POLBLMNA
SCHEMBL5378489 0.81 KDM4E (0.48) MAPK1CYP2C9ALDH1A1POLBKMT2A
SCHEMBL5391342 0.80 PIK3R1 (0.52) MAPK1CYP2C9ALDH1A1KMT2AHTT
SCHEMBL5378114 0.80 EPHX2 (0.48) CYP2C9KMT2AEPHX2LMNA
SCHEMBL5392403 0.79 EDNRA (0.51) CYP2C9KMT2AEPHX2
SCHEMBL5381880 0.79 CA1 (0.64)
SCHEMBL5392577 0.78 CA1 (0.48) MAPTALDH1A1POLBKMT2ANPSR1
SCHEMBL14428525 0.76 LMNA (0.58) MAPK1MAPTCYP2C9KMT2ANPSR1

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 MAPK1 3725/4885MAPT 2536/4885CYP2C9 1056/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPK1 3590/4885MAPT 2630/4885CYP2C9 864/4885

“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.