SCHEMBL5378644

SCHEMBL5378644

Cc1cccc(NC(=O)CC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CHRNA7 P36544 3/20 0.39
CHRNA10 Q9GZZ6 3/20 0.39
CHRNA9 Q9UGM1 3/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GRM5 P41594 1/20 0.38
GBA1 P04062 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
CHRNB2 P17787 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
SCHEMBL5383968 0.85 KMT2A (0.44) RAB9ANPC1PTGS2ALDH1A1GAA
SCHEMBL5392664 0.84 KMT2A (0.48) RAB9ANPC1PTGS2ALDH1A1KMT2A
SCHEMBL5385125 0.84 PTGS2 (0.40) RAB9ANPC1PTGS2KMT2AMAPT
SCHEMBL5380601 0.84 KMT2A (0.51) RAB9ANPC1PTGS2ALDH1A1KMT2A
SCHEMBL5397008 0.83 MEN1 (0.39) RAB9ANPC1PTGS2TSHRKMT2A
SCHEMBL5385131 0.83 PTGS2 (0.39) RAB9ANPC1POLBPTGS2ALDH1A1
SCHEMBL5384224 0.83 KMT2A (0.42) RAB9ANPC1PTGS2ALDH1A1GAA
SCHEMBL5382246 0.83 CA12 (0.43) PTGS2KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5381144 0.83 KMT2A (0.41) RAB9ANPC1PTGS2ALDH1A1GAA
SCHEMBL5381158 0.83 PTGS2 (0.38) RAB9ANPC1PTGS2TSHRKMT2A

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 RAB9A 1848/4885NPC1 3226/4885POLB 760/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD RAB9A 3006/4885NPC1 2574/4885POLB 284/4885

“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.