SCHEMBL5386546

SCHEMBL5386546

CC(=O)Nc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.58
CYP19A1 P11511 2/20 0.54
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
POLB P06746 1/20 0.49
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
PPIA P62937 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
SCHEMBL14428103 0.84 MET (0.46) BRD4CTSVCTSL
SCHEMBL5384622 0.81 LRRK2 (0.47) BRD4CYP11B1CYP11B2CTSVCTSL
SCHEMBL5029023 0.78 PTK6 (0.56)
SCHEMBL5382975 0.77 MET (0.47) CTSVCTSL
SCHEMBL9732666 0.75 BRD4 (0.72) BRD4CYP19A1
SCHEMBL8926580 0.74 BRD4 (0.74) BRD4CYP19A1PPIA
SCHEMBL5399487 0.74 BRD4 (0.70) BRD4CYP19A1
SCHEMBL2993876 0.74 BRD4 (0.69) BRD4CYP19A1CTSVCTSL
SCHEMBL5387715 0.74 BRD4 (0.44) BRD4CYP19A1CYP11B1CYP11B2
SCHEMBL8924076 0.73 BRD4 (1.00) BRD4CYP19A1PPIA

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 BRD4 797/4885CYP19A1 3314/4885CYP11B1 4406/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BRD4 830/4885CYP19A1 2528/4885CYP11B1 3980/4885

“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.