SCHEMBL5376496

SCHEMBL5376496

COc1cc2c(cc1Nc1nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n1)oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.47
KDM4E B2RXH2 12/20 0.47
ALDH1A1 P00352 11/20 0.46
HPGD P15428 10/20 0.46
LMNA P02545 5/20 0.46
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
POLB P06746 2/20 0.45
GAA P10253 5/20 0.45
RAB9A P51151 3/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL14503540 0.85 MAPT (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL5448692 0.78 GBA1 (0.57) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL5383100 0.77 MAPT (0.59) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL5392616 0.72 MAPT (0.61) MAPTNPSR1
SCHEMBL5391438 0.72 ADRA2A (0.47) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL5383098 0.72 MEN1 (0.45) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL5400657 0.71 HTT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8923080 0.71 KMT2A (0.64) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL14440845 0.71 MAPT (0.59) MAPTLMNAKMT2ARAB9AHTT
SCHEMBL13438683 0.70 ALDH1A1 (0.56) MAPTKDM4EALDH1A1HPGDLMNA

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 MAPT 2536/4885KDM4E 2224/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPT 2630/4885KDM4E 2873/4885ALDH1A1 2096/4885

“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.