SCHEMBL3752669

SCHEMBL3752669

CC(C)(C)[Si](C)(C)OCc1cn(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 9/20 0.39
TLR1 Q15399 9/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.38
SLC22A12 Q96S37 1/20 0.36
S1PR4 O95977 1/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
CCKBR P32239 1/20 0.33
GABRA3 P34903 1/20 0.33
OPRK1 P41145 1/20 0.33
MC3R P41968 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GHSR Q92847 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
SCHEMBL8135570 0.95 TLR2 (0.39) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL8158450 0.91 TLR2 (0.34) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL5924509 0.86 S1PR4 (0.31) TLR2TLR1ALDH1A1LMNAS1PR4
SCHEMBL8822124 0.82 TLR2 (0.36) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL3747434 0.81 ALDH1A1 (0.31) ALDH1A1LMNAMAPTTDP1
SCHEMBL7130638 0.81 FGFR1 (0.40) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL3745954 0.79 ALDH1A1 (0.44) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL31345017 0.77 S1PR4 (0.40) ALDH1A1KMT2ALMNAS1PR4THRB
SCHEMBL8152746 0.77 ALDH1A1 (0.41) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL1617550 0.75 ALDH1A1 (0.47) TLR2TLR1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed
US-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. 2006-11-30 US disclosed
WO-2004101531-A1 ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-25 WO disclosed
US-6495551-B1 P-IMIDAZOLE-PHENYL-OXAZOLIDINES; EFFECTIVE AGAINST GRAMPOSITIVE BACTERIA SYNGENTA LIMITED (GB) 2002-12-17 US disclosed
US-6194441-B1 GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA ZENECA LTD. (GB) 2001-02-27 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 (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-20060270628-A1 Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them IL33, IL5, IL1B TLR2 161/4885TLR1 25/4885ALDH1A1 1498/4885
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP TLR2 266/4885TLR1 125/4885ALDH1A1 1845/4885

“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.