SCHEMBL5384622

SCHEMBL5384622

O=C(Nc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1OCc1ccccc1)c1ccc(F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.47
GAA P10253 1/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CCNA1 P78396 1/20 0.43
SGMS2 Q8NHU3 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PPIA P62937 1/20 0.42
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.41
GRM4 Q14833 1/20 0.40
PNLIP P16233 1/20 0.40

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
SCHEMBL14428103 0.85 MET (0.46) LRRK2GAASGMS2TDP1L3MBTL1
SCHEMBL5382975 0.82 MET (0.47) LRRK2GAASGMS2CTSVCTSL
SCHEMBL5386546 0.81 BRD4 (0.58) CYP11B1CYP11B2PPIACTSVCTSL
SCHEMBL5380927 0.79 L3MBTL1 (0.50) LRRK2GAASGMS2TDP1L3MBTL1
SCHEMBL5391088 0.77 RORC (0.40) LRRK2CCNT1CCNA2CDK2CDK9
SCHEMBL5375951 0.75 EPHX2 (0.50) LRRK2GAASGMS2TDP1L3MBTL1
SCHEMBL5029023 0.71 PTK6 (0.56) KMT2AGRM4
SCHEMBL14440323 0.70 KDM4E (0.45) KMT2APNLIP
SCHEMBL11687092 0.69 TDP1 (0.64) GAASGMS2TDP1L3MBTL1PPIA
SCHEMBL8926580 0.68 BRD4 (0.74) GAAPPIARAB9AKMT2ABRD4

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 8 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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 LRRK2 821/4885GAA 395/4885CCNT1 3402/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD LRRK2 1599/4885GAA 778/4885CCNT1 2501/4885

“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.