SCHEMBL4294367

SCHEMBL4294367

CC(C)c1nn(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATM Q13315 1/20 0.51
PKM P14618 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL10104614 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL4296566 0.82 NPSR1 (0.61) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL23398439 0.78 NPC1 (0.47) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL4298023 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL27660246 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL12316241 0.76 BRD4 (0.42) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL25163611 0.76 BRD4 (0.45) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL4698487 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL68334 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL12338700 0.75 BRD4 (0.51) ALDH1A1KDM4EHSD17B10HPGDMEN1

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-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 ALDH1A1 231/4885L3MBTL1 1367/4885KDM4E 2891/4885

“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.