SCHEMBL3334314

SCHEMBL3334314

[O-][N+](=CCOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
IDO1 P14902 1/20 0.36
ALOX5 P09917 1/20 0.36
TK1 P04183 1/20 0.36
AGXT P21549 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
TACR1 P25103 2/20 0.34

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
SCHEMBL3334310 1.00 TSHR (0.48) TSHRIDO1ALOX5TK1AGXT
SCHEMBL5039290 0.79 AOC3 (0.42) RAB9AKMT2ABCHE
SCHEMBL5038975 0.76 TSHR (0.45) TSHRIDO1ALOX5TK1AGXT
SCHEMBL27507506 0.75 MAOB (0.46) TSHRIDO1CA1CA2MEN1
SCHEMBL29094830 0.73 TP53 (0.41) TSHRKDM4EMEN1KMT2ABCHE
SCHEMBL5328868 0.72 TSHR (0.41) TSHRIDO1CA1CA2CA7
SCHEMBL5046082 0.72 NPC1 (0.37) TSHRKDM4EMEN1NPC1RAB9A
SCHEMBL5328863 0.72 TSHR (0.41) TSHRIDO1CA1CA2CA7
SCHEMBL5035885 0.72 LTA4H (0.46) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL1524101 0.72 TSHR (0.67) TSHRIDO1ALOX5TK1AGXT

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
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 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 (2 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-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 TSHR 3020/4885IDO1 236/4885ALOX5 319/4885
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 TSHR 1579/4885IDO1 32/4885ALOX5 1899/4885

“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.