SCHEMBL3565701

SCHEMBL3565701

COc1ccc(F)c([Si](C)(C)C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 4/20 0.34
HTT P42858 4/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 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
SCHEMBL12804213 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL24102364 0.76 HTR2A (0.39) HTR2AHTR2CHTR2BALDH1A1KMT2A
SCHEMBL31058582 0.76 HTR2A (0.39) HTR2AHTR2CHTR2BALDH1A1KMT2A
SCHEMBL7939401 0.75 HTR2A (0.42) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL15334770 0.74 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL4406929 0.72 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL23723833 0.72 KMT2A (0.42) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL7723707 0.72 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL16044690 0.71 PAX8 (0.37) ALDH1A1MAPK1KDM4EPAX8SMN1; SMN2
SCHEMBL19756656 0.71 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1MAPT

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
EP-1861382-B1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
EP-1861382-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2007-12-05 EP disclosed
WO-2006096564-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2006-09-14 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 (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-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity PPARG, PPARA, FABP4 HTR2A 980/4885HTR2C 1212/4885HTR2B 1210/4885

“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.