SCHEMBL5387332

SCHEMBL5387332

Cc1cccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
IDH2 P48735 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM5 P41594 3/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
KARS1 Q15046 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5452169 0.80 ROCK1 (0.48) HTTIDH2LMNAMEN1KMT2A
SCHEMBL5378644 0.80 RAB9A (0.44) LMNASMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL5383222 0.79 HRH3 (0.42) HTTIDH2LMNASMN1; SMN2RAB9A
SCHEMBL5425573 0.79 GRM5 (0.45) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14503954 0.78 LMNA (0.60) HTTIDH2LMNASMN1; SMN2CHRNB2
SCHEMBL14428525 0.77 LMNA (0.58) HTTLMNASMN1; SMN2RAB9AMEN1
SCHEMBL5400424 0.77 KDM4E (0.44) HTTIDH2LMNASMN1; SMN2RAB9A
SCHEMBL5385008 0.76 IGF1R (0.36) HTTIDH2LMNASMN1; SMN2RAB9A
SCHEMBL5448044 0.76 LMNA (0.60) HTTIDH2LMNASMN1; SMN2RAB9A
SCHEMBL14428047 0.76 LMNA (0.60) HTTIDH2LMNASMN1; SMN2RAB9A

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 949/4885IDH2 3327/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885IDH2 3493/4885LMNA 4008/4885

“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.