SCHEMBL5387716

SCHEMBL5387716

O=C(c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.54
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 3/20 0.50
GAA P10253 3/20 0.50
ALOX15 P16050 2/20 0.50
CES2 O00748 1/20 0.50
USP2 O75604 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL26927727 0.87 MEN1 (0.60) PHGDHALDH1A1KMT2AMEN1MAPT
SCHEMBL30092621 0.85 ALDH1A1 (0.62) GPR35ALDH1A1KMT2AMEN1MAPT
SCHEMBL3900466 0.83 MEN1 (0.56) PHGDHALDH1A1KMT2AMEN1MAPT
SCHEMBL1644789 0.82 GPR35 (0.56) PHGDHGPR35ALDH1A1KMT2ATSHR
SCHEMBL29357695 0.81 CES2 (0.73) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL39507 0.81 CES2 (0.73) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10082315 0.81 ALDH1A1 (0.54) GPR35ALDH1A1KMT2AMEN1MAPT
SCHEMBL578933 0.80 ALDH1A1 (0.66) GPR35ALDH1A1KMT2AMAPTHTT
SCHEMBL27497022 0.80 GAA (0.60) GPR35ALDH1A1KMT2AMEN1MAPT
SCHEMBL11694225 0.79 ALDH1A1 (0.79) PHGDHGPR35ALDH1A1KMT2AMEN1

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 8 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 PHGDH 2098/4885GPR35 2094/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PHGDH 1538/4885GPR35 3766/4885ALDH1A1 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.