SCHEMBL2655846

SCHEMBL2655846

COC(=O)c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
POLB P06746 3/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
USP10 Q14694 1/20 0.51
PDE7A Q13946 1/20 0.50
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
VCAM1 P19320 1/20 0.46
RAF1 P04049 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
PSMD14 O00487 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL2016083 0.90 ALDH1A1 (0.67) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL1299058 0.84 PDE7A (0.57) TDP1MAPTHPGDALDH1A1PDE7A
SCHEMBL28747580 0.83 PDE7A (0.63) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL27395754 0.82 MAPT (0.65) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL9657497 0.82 KMT2A (0.54) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL1340930 0.81 MAPT (0.64) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL1138750 0.79 MAOB (0.53) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL12863732 0.79 MAPT (0.52) TDP1POLBMAPTALDH1A1LMNA
SCHEMBL5101681 0.79 NPSR1 (0.54) TDP1POLBMAPTHPGDALDH1A1
SCHEMBL6860372 0.79 CYP4A11 (0.49) TDP1POLBMAPTHPGDALDH1A1

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
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
CN-101146762-A Substituted aryl and heteroaryl derivatives MERCK & CO INC (US) 2008-03-19 CN disclosed
EP-1863755-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES Merck & Co., Inc. (US) 2007-12-12 EP disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 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 (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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 TDP1 3461/4885POLB 2296/4885MAPT 4204/4885

“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.