SCHEMBL15630765

SCHEMBL15630765

Cc1cccc(C)c1[C@@H](N)CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PTPRC P08575 2/20 0.34
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 1/20 0.34
SCN4A P35499 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL1573827 0.78 CTSS (0.42) SLC7A5KMT2ASCN4ASMN1; SMN2TSHR
SCHEMBL1952090 0.78 CTSS (0.42) SLC7A5KMT2ASCN4ASMN1; SMN2TSHR
SCHEMBL469053 0.78 CTSS (0.42) SLC7A5KMT2ASCN4ASMN1; SMN2TSHR
SCHEMBL31724724 0.77 MEN1 (0.35) SLC7A5CYP2D6KMT2AHDAC3HDAC1
SCHEMBL31725084 0.77 MEN1 (0.35) SLC7A5KMT2ASCN9ASCN10ACA2
SCHEMBL6782285 0.77 IRAK4 (0.39) SLC7A5KMT2A
SCHEMBL31724777 0.76 MTNR1A (0.32) CYP2D6KMT2AHDAC3HDAC1HDAC2
SCHEMBL5720903 0.76 ACHE (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15630762 0.76 CYP2C9 (0.38) SLC7A5KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL28742011 0.76 POLB (0.46) SMN1; SMN2LMNACYP1A2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 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-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 SLC7A5 3009/4885NOD2 946/4885NOD1 227/4885

“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.