SCHEMBL5383900

SCHEMBL5383900

N[C@@H]1C[C@H](N)CN(c2nc(NCc3ccc(C(F)(F)F)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
IDH2 P48735 2/20 0.41
CRHR1 P34998 2/20 0.40
PIK3CA P42336 1/20 0.40
MERTK Q12866 1/20 0.40
TPH1 P17752 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL5383818 0.88 IDH2 (0.41) APPHTTHRH4IDH2HDAC3
SCHEMBL5458233 0.86 HTT (0.46) HTTACHEHRH4ALDH1A1LMNA
SCHEMBL5384412 0.84 BACE1 (0.45) HTTACHEHDAC3HDAC1HDAC2
SCHEMBL5382198 0.84 HTT (0.47) APPHTTACHEALDH1A1LMNA
SCHEMBL5386579 0.83 HTT (0.46) APPHTTHRH4ALDH1A1LMNA
SCHEMBL5388259 0.81 IDH2 (0.44) IDH2
SCHEMBL5380660 0.81 HTT (0.53) HTTHRH4MERTKTPH1ALDH1A1
SCHEMBL5380705 0.80 HTT (0.43) HTTHRH4ALDH1A1LMNAGAA
SCHEMBL5383927 0.80 APP (0.45) APPHTTHRH4ALDH1A1LMNA
SCHEMBL14503578 0.79 CASP1 (0.53) APPHTTACHEHRH4IDH2

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 APP 2368/4885HTT 949/4885ACHE 3125/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD APP 3061/4885HTT 516/4885ACHE 3665/4885

“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.