SCHEMBL948006

SCHEMBL948006

COC(=O)C(C)(O)CSc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 2/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL948062 0.85 PPARA (0.37) KMT2AMEN1LMNAHSD17B10MAPT
SCHEMBL948237 0.85 PPARA (0.37) KMT2AMEN1LMNAHSD17B10MAPT
SCHEMBL947918 0.85 PPARA (0.37) KMT2AMEN1LMNAHSD17B10MAPT
SCHEMBL28023317 0.77 HPGD (0.48) LMNASMN1; SMN2MAPT
SCHEMBL10062805 0.76 NPC1 (0.43) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL3810953 0.76 NPC1 (0.43) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL950417 0.74 IDO1 (0.39) KMT2AMEN1GAASMN1; SMN2HTT
SCHEMBL7016500 0.73 MAPT (0.52) KMT2ALMNASMN1; SMN2HTTMAPT
SCHEMBL947915 0.72 MTNR1A (0.39) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL948235 0.72 MTNR1A (0.39) KMT2AMEN1LMNASMN1; SMN2

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
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 KMT2A 417/4885MEN1 1291/4885GAA 4808/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KMT2A 491/4885MEN1 1197/4885GAA 4834/4885

“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.