Sugi Predict

Sugi Predict / Compounds / SCHEMBL5606864

SCHEMBL5606864

SCHEMBL5606864

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 7/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KCNMA1 Q12791 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL5606613 0.89 HTT (0.59) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5606405 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL5606269 0.79 HTT (0.52) HTTHPGDLMNAPOLBMAPT
SCHEMBL5606412 0.76 HTT (0.50) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL3230760 0.76 HTT (0.68) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5142594 0.76 HTT (0.52) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5607398 0.75 MAPT (0.44) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5607392 0.75 HTT (0.48) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL5606872 0.74 HTT (0.64) HTTSMN1; SMN2HPGDRAB9ANPC1
SCHEMBL2296702 0.74 HTT (0.62) HTTSMN1; SMN2RAB9ANPC1LMNA

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 HTT 4799/4885SMN1; SMN2 3513/4885HPGD 1451/4885

“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.