SCHEMBL5382877

SCHEMBL5382877

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)CO)c(Cl)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SCN9A Q15858 3/20 0.37
EGFR P00533 2/20 0.37
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5382880 1.00 TSHR (0.41) TSHRSMN1; SMN2BACE1CA12CA1
SCHEMBL5382840 0.89 BACE1 (0.36) TSHRSMN1; SMN2BACE1CA12CA1
SCHEMBL5382823 0.89 BACE1 (0.36) TSHRSMN1; SMN2BACE1CA12CA1
SCHEMBL5376474 0.85 RAD52 (0.44) SMN1; SMN2BACE1CA12CA1CA2
SCHEMBL14504089 0.83 CA12 (0.52) TSHRSMN1; SMN2BACE1CA12CA1
SCHEMBL5385057 0.83 KMT2A (0.43) TSHRCA12CA1CA2CA9
SCHEMBL5383083 0.81 SCN9A (0.42) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5381546 0.81 SCN9A (0.41) TSHRSMN1; SMN2SCN9ACAMK1D
SCHEMBL5388529 0.80 TDP1 (0.48) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL5395892 0.80 TDP1 (0.48) TSHRSMN1; SMN2CA12CA1CA2

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 TSHR 4325/4885SMN1; SMN2 3797/4885BACE1 2514/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885SMN1; SMN2 4041/4885BACE1 3134/4885

“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.