SCHEMBL5607423

SCHEMBL5607423

N=C(NO)c1ccc(Oc2ccccc2O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
HPSE Q9Y251 1/20 0.44
HSPB1 P04792 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TTR P02766 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PRSS1 P07477 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5607733 0.85 LMNA (0.52) MAPTLMNATTRMEN1KMT2A
SCHEMBL4398948 0.79 ALDH1A1 (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2678636 0.78 KMT2A (0.48) MAPTLMNAHPSEALDH1A1MEN1
SCHEMBL9127093 0.76 L3MBTL1 (0.64) MAPTLMNAHSPB1ALDH1A1TTR
SCHEMBL4402292 0.71 TSHR (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4402565 0.71 VCAM1 (0.63) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL31330347 0.70 CTSB (0.60) MAPTLMNAHSPB1ALDH1A1TTR
SCHEMBL9132620 0.69 TDP1 (0.49) MAPTLMNAHSPB1ALDH1A1MEN1
SCHEMBL4002257 0.69 HPSE (0.67) MAPTLMNAHPSEALDH1A1TTR
SCHEMBL4580873 0.68 ALDH1A1 (0.60) MAPTLMNAHPSEALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP claimed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US claimed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 WO claimed
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP disclosed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US disclosed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 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 (1 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-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents TYR, NFE2L2, CYP1A1 MAPT 4105/4885LMNA 3266/4885HPSE 4327/4885

“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.