SCHEMBL14440323

SCHEMBL14440323

CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2OCCCC)c(OCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
AGER Q15109 4/20 0.41
MET P08581 1/20 0.41
PTGES O14684 1/20 0.40
PNLIP P16233 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MELK Q14680 1/20 0.39
NR3C1 P04150 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14440037 0.92 KDM4E (0.43) KDM4ENFKB1HTTRECQLPOLB
SCHEMBL14428103 0.83 MET (0.46) MEN1KMT2AMETSMN1; SMN2PPARG
SCHEMBL14440324 0.77 GAA (0.47) HTTRECQLPOLBMEN1KMT2A
SCHEMBL5382975 0.76 MET (0.47) MEN1KMT2AMETALDH1A1SMN1; SMN2
SCHEMBL13359701 0.74 NFKB1 (0.77) KDM4ENFKB1HTTPOLBMEN1
SCHEMBL14440819 0.73 MET (0.39) MAPTMETMELK
SCHEMBL5384622 0.70 LRRK2 (0.47) KMT2APNLIP
SCHEMBL14440036 0.70 MET (0.46) HTTRECQLMEN1KMT2AMAPT
SCHEMBL5386546 0.69 BRD4 (0.58) POLB
SCHEMBL12184379 0.69 TDP1 (0.42) KDM4ENFKB1HTTPOLBMEN1

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 2 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 (1 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 KDM4E 2224/4885NFKB1 756/4885HTT 949/4885

“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.