SCHEMBL12522166

SCHEMBL12522166

C[C@@H]1CCc2ncc(NC(=O)CCc3ccccc3)c(=O)n21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM6B O15054 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PREP P48147 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
SCHEMBL12450916 0.88 MEN1 (0.47) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL14370023 0.88 MEN1 (0.47) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL12522491 0.86 MEN1 (0.46) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL12946456 0.81 RAB9A (0.44) MEN1KMT2ARAB9AHTTBCHE
SCHEMBL12450527 0.78 CASP1 (0.47) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL12522515 0.78 CASP1 (0.43) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL12450908 0.78 CASP1 (0.54) MEN1KMT2ARAB9AHTTHSD17B10
SCHEMBL12522167 0.77 RAB9A (0.46) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL950990 0.70 KMT2A (0.45) MEN1KMT2ARAB9ABCHEALDH1A1
SCHEMBL30929443 0.69 ELANE (0.46) RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 MEN1 1388/4885KMT2A 4426/4885RAB9A 2305/4885

“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.