SCHEMBL3752676

SCHEMBL3752676

CC(C)(C)[SiH2]OC(C)(C)c1cn(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 9/20 0.39
TLR1 Q15399 9/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
S1PR4 O95977 1/20 0.34
HIF1A Q16665 1/20 0.33
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL1617550 0.76 ALDH1A1 (0.47) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL20085597 0.74 ALDH1A1 (0.47) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL8822076 0.74 ALDH1A1 (0.47) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL3752669 0.73 TLR2 (0.39) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL4015948 0.73 ALDH1A1 (0.41) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL4019860 0.72 ALDH1A1 (0.45) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL5924431 0.71 NR2E1 (0.31)
SCHEMBL11901049 0.71 TLR2 (0.48) TLR2TLR1ALDH1A1KMT2A
SCHEMBL3745954 0.71 ALDH1A1 (0.44) TLR2TLR1ALDH1A1KMT2ALMNA
SCHEMBL3433157 0.70 ALDH1A1 (0.41) 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 4 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
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

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.