SCHEMBL5378924

SCHEMBL5378924

Cc1cccc(NNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GBA1 P04062 2/20 0.40
USP2 O75604 1/20 0.39
IDH2 P48735 2/20 0.39
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 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
SCHEMBL5383975 0.85 PAK4 (0.41) LMNAMAPTKMT2AGBA1IDH2
SCHEMBL5382180 0.85 IDH2 (0.41) HTTLMNASMN1; SMN2MAPTTP53
SCHEMBL5380938 0.84 LMNA (0.44) HTTLMNASMN1; SMN2MAPTTSHR
SCHEMBL5387045 0.84 LMNA (0.44) HTTLMNASMN1; SMN2MAPTPOLB
SCHEMBL5384763 0.82 IDH2 (0.59) SMN1; SMN2MAPTUSP2IDH2
SCHEMBL5383700 0.80 CTSS (0.53) HTTLMNASMN1; SMN2GBA1GAA
SCHEMBL14504709 0.79 LMNA (0.78) HTTLMNASMN1; SMN2MAPTPOLB
SCHEMBL5387512 0.79 HTR3A (0.34) HTTLMNAMAPTMEN1KMT2A
SCHEMBL5381111 0.78 MEN1 (0.41) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5378863 0.78 HTT (0.47) HTTLMNASMN1; SMN2MAPTPOLB

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 HTT 949/4885LMNA 4065/4885SMN1; SMN2 3797/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885LMNA 4008/4885SMN1; SMN2 4041/4885

“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.