SCHEMBL5680368

SCHEMBL5680368

CC(C)Cn1cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
GAA P10253 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FBP1 P09467 1/20 0.34
CREBBP Q92793 1/20 0.33

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
SCHEMBL20644829 0.88 DNM1L (0.41) GAAHTTKMT2AMEN1ALDH1A1
SCHEMBL1840692 0.85 GAA (0.40) ARGAATP53HTTKMT2A
SCHEMBL4703944 0.83 HTT (0.40) ARTDP1TP53HTTKMT2A
SCHEMBL5680354 0.82 NPC1 (0.45) ARHTTKMT2AMEN1MAPT
SCHEMBL5676062 0.80 AR (0.41) ARGAATDP1TP53HTT
SCHEMBL5676515 0.79 GAA (0.36) GAATDP1KMT2AMEN1ALDH1A1
SCHEMBL1844197 0.76 TDP1 (0.38) ARGAATDP1TP53HTT
SCHEMBL1841466 0.75 SIGMAR1 (0.37) ARTDP1TP53HTTMAPT
SCHEMBL5896808 0.74 GAA (0.42) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL1662655 0.74 AR (0.51) ARTDP1TP53KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124479-B2 Oligopyrroles as antagonists of islet amyloid polypeptide oligomerization NEW YORK UNIVERSITY (US) 2021-09-21 US disclosed
US-20190016679-A1 OLIGOPYRROLES AS ANTAGONISTS OF ISLET AMYLOID POLYPEPTIDE OLIGOMERIZATION NEW YORK UNIVERSITY (US) 2019-01-17 US disclosed
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 (3 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 AR 2351/4885GAA 21/4885KEAP1 768/4885
US-20190016679-A1 OLIGOPYRROLES AS ANTAGONISTS OF ISLET AMYLOID POLYPEPTIDE OLIGOMERIZATION IAPP, APP, AMY2A AR 3667/4885GAA 954/4885KEAP1 1876/4885
US-11124479-B2 Oligopyrroles as antagonists of islet amyloid polypeptide oligomerization IAPP, APP, AMY2A AR 3667/4885GAA 954/4885KEAP1 1876/4885

“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.