SCHEMBL5384240

SCHEMBL5384240

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccccc4Cl)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.42
GRM4 Q14833 5/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 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
SCHEMBL5391098 0.93 KLKB1 (0.41) TSHRSMN1; SMN2SCN9A
SCHEMBL5381090 0.93 LMNA (0.41) TSHRSMN1; SMN2RAB9AALDH1A1TP53
SCHEMBL5375803 0.90 AURKA (0.44) TSHRSMN1; SMN2POLBSCN9ACYP1A2
SCHEMBL5376218 0.90 TSHR (0.39) TSHRSMN1; SMN2SCN9AKMT2A
SCHEMBL5382983 0.89 TERT (0.40) TSHRSMN1; SMN2RAB9ASCN9AKMT2A
SCHEMBL14503827 0.88 SCN9A (0.41) TSHRSMN1; SMN2SCN9A
SCHEMBL5375652 0.88 SCN9A (0.41) TSHRSMN1; SMN2SCN9A
SCHEMBL5382620 0.88 SCN9A (0.47) TSHRSMN1; SMN2RAB9AALDH1A1TP53
SCHEMBL5392542 0.88 KMT2A (0.42) RAB9ASCN9AKMT2A
SCHEMBL5381222 0.88 KCNMA1 (0.43) SMN1; SMN2RAB9AALDH1A1POLBCHRM5

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 3797/4885RAB9A 1848/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885SMN1; SMN2 4041/4885RAB9A 3006/4885

“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.