SCHEMBL5832234

SCHEMBL5832234

CC(C)CNSc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
HAO1 Q9UJM8 1/20 0.38
BACE1 P56817 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AMY1A P0DUB6 1/20 0.31
GAA P10253 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20282318 0.81 BACE1 (0.41) KMT2ALMNAL3MBTL1POLBBACE1
SCHEMBL8967678 0.79 HAO1 (0.39) KMT2ALMNAL3MBTL1HAO1SMN1; SMN2
SCHEMBL8967161 0.72 MAOA (0.41) KMT2ASMN1; SMN2ALDH1A1HPGDTAAR1
SCHEMBL13143422 0.71 BACE1 (0.47) KMT2ALMNAL3MBTL1POLBBACE1
SCHEMBL575956 0.67 HAO1 (0.52) LMNAHAO1TAAR1GAAAPOBEC3A
SCHEMBL23048519 0.67 BACE1 (0.40) KMT2ALMNAL3MBTL1POLBHAO1
SCHEMBL19361748 0.67 POLB (0.39) LMNAL3MBTL1POLBHAO1BACE1
SCHEMBL5832257 0.67 L3MBTL1 (0.57) KMT2ALMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL20627334 0.67 MAOA (0.44) LMNA
SCHEMBL5677326 0.66 ALDH1A1 (0.46) KMT2ALMNAL3MBTL1SMN1; SMN2ALDH1A1

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-7084164-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-08-01 US disclosed
US-7034047-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-04-25 US disclosed
US-20060025461-A1 Triazole derivative ASTELLAS PHARMA INC. 2006-02-02 US disclosed
US-20040214818-A1 Triazole derivative YAMANOUCHI PHARMACEUTICAL CO., LTD., MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2004-10-28 US disclosed
EP-1293503-A1 TRIAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-03-19 EP 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 (2 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-20040214818-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 KMT2A 2031/4885LMNA 4211/4885L3MBTL1 1494/4885
US-20060025461-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 KMT2A 2031/4885LMNA 4211/4885L3MBTL1 1494/4885

“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.