SCHEMBL5606405

SCHEMBL5606405

O=C(O)c1nc(-c2ccc(Oc3ccc(Cl)cc3O)c([N+](=O)[O-])c2)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 5/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 7/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 4/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 1/20 0.42
TTR P02766 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHEK2 O96017 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5607398 0.88 MAPT (0.44) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL5606864 0.87 HTT (0.57) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL5607655 0.77 TTR (0.46) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL5606613 0.75 HTT (0.59) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL5606475 0.73 TTR (0.44) SMN1; SMN2HPGDMAPTLMNAPOLB
SCHEMBL5143263 0.72 TTR (0.55) HPGDMAPTLMNAPOLBTTR
SCHEMBL8344893 0.71 TSHR (0.57) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5606904 0.70 TTR (0.41) MAPTLMNATTRKDM4EALDH1A1
SCHEMBL5607202 0.69 HTT (0.45) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL493835 0.69 HTT (0.69) SMN1; SMN2NPC1MAPTPOLBKDM4E

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 SMN1; SMN2 3513/4885HPGD 1451/4885RAB9A 2860/4885

“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.