SCHEMBL5676129

SCHEMBL5676129

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.53
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
NOS1 P29475 1/20 0.39
AMY1A P0DUB6 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL5677916 0.90 HRH4 (0.53) HRH4PDGFRBPDGFRALMNAMEN1
SCHEMBL3029155 0.83 HRH4 (0.58) HRH4PDGFRBPDGFRAGRIA1GRIA2
SCHEMBL7365267 0.80 HRH4 (0.55) HRH4PDGFRBPDGFRAGRIA1GRIA2
SCHEMBL394554 0.80 ALOX15 (0.64) HRH4ALOX15LMNAMAPTMEN1
SCHEMBL17687449 0.79 HRH4 (0.54) HRH4PDGFRBPDGFRAMAPTAMY1A
SCHEMBL5323920 0.77 KDM4E (0.60) PDGFRBPDGFRALMNAMAPTMEN1
SCHEMBL30509203 0.77 KDM4E (0.60) PDGFRBPDGFRALMNAMAPTMEN1
SCHEMBL396212 0.77 HRH4 (0.60) HRH4GRIA1GRIA2GRIA3GRIA4
SCHEMBL397642 0.76 HRH4 (0.59) HRH4GRIA1GRIA2GRIA3GRIA4
SCHEMBL5889520 0.72 HRH3 (0.52) PDGFRBPDGFRALMNAALDH1A1SMN1; SMN2

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-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 WO disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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 (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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L HRH4 1972/4885PDGFRB 3288/4885PDGFRA 2861/4885

“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.