SCHEMBL5388529

SCHEMBL5388529

NC1CC(N)CN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CC(N)CC(N)C3)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
IDH2 P48735 2/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
POLA1 P09884 2/20 0.41
NPY5R Q15761 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
SCN9A Q15858 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL5395892 1.00 TDP1 (0.48) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5453221 0.94 POLA1 (0.45) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5453216 0.94 POLA1 (0.45) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5435536 0.94 POLA1 (0.45) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5384614 0.93 IDH2 (0.51) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5392080 0.91 TDP1 (0.64) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5462440 0.91 IDH2 (0.56) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL14428053 0.91 TDP1 (0.44) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5387990 0.91 TDP1 (0.42) TDP1SMN1; SMN2TSHRCA12CA1
SCHEMBL5375961 0.88 MAPT (0.50) TDP1SMN1; SMN2TSHRHTT

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 TDP1 2209/4885SMN1; SMN2 3797/4885TSHR 4325/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TDP1 1488/4885SMN1; SMN2 4041/4885TSHR 3906/4885

“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.