SCHEMBL5879121

SCHEMBL5879121

CC(C)(C)OC(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
SLC13A3 Q8WWT9 1/20 0.43
LMNA P02545 1/20 0.43
CYP17A1 P05093 1/20 0.42
ATR Q13535 1/20 0.42
P2RY1 P47900 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3786493 0.96 L3MBTL1 (0.44) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL22081738 0.90 CA12 (0.43) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL31093899 0.90 CA12 (0.43) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL4895564 0.89 GRM4 (0.45) L3MBTL1MEN1KMT2ARAB9ACA12
SCHEMBL22032877 0.89 CA12 (0.39) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL6810856 0.89 MAPKAPK2 (0.42) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL22081737 0.89 LCK (0.41) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL31254121 0.89 MAPKAPK2 (0.42) L3MBTL1MAPTMEN1KMT2AHPGD
Trifluoromethanesulfonic Acid SCHEMBL27886397 0.88 ACP1 (0.43) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL22081832 0.86 SLC13A3 (0.52) L3MBTL1MAPTMEN1KMT2AHPGD

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
CN-100537527-C Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA INC (US) 2009-09-09 CN disclosed
US-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
EP-1370520-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-12-17 EP disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 US disclosed
WO-2002076929-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-10-03 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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R L3MBTL1 2016/4885MAPT 2426/4885MEN1 1750/4885

“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.