SCHEMBL2944097

SCHEMBL2944097

CC(C)(C)OC(=O)NCc1ccc(CO)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
KDM4A O75164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1828113 0.90 TSHR (0.56) TSHRIDO1GAASMN1; SMN2ALDH1A1
SCHEMBL12231210 0.85 KDM4A (0.43) IDO1GAAHDAC10HDAC6EPHX2
SCHEMBL12231326 0.84 GRM2 (0.43) GAAHDAC10HDAC6EPHX2NR1H4
SCHEMBL12231290 0.83 POLB (0.44) ALDH1A1HDAC10HDAC6KDM4ATRPV1
SCHEMBL507690 0.82 AAK1 (0.49) TSHRIDO1GAASMN1; SMN2ALDH1A1
SCHEMBL4613309 0.82 EPHX2 (0.61) TSHRIDO1GAASMN1; SMN2ALDH1A1
SCHEMBL1346036 0.81 EPHX2 (0.64) TSHRIDO1ALDH1A1LMNAMAPK1
SCHEMBL2522206 0.81 HDAC10 (0.43) GAAHDAC10HDAC6KDM4AL3MBTL1
SCHEMBL27840007 0.80 L3MBTL1 (0.48) TSHRGAASMN1; SMN2HDAC10HDAC6
SCHEMBL23833131 0.80 TRPV1 (0.52) IDO1GAASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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 (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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC TSHR 2923/4885IDO1 37/4885GAA 690/4885

“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.