SCHEMBL13705259

SCHEMBL13705259

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C[C@@H](O)c2cccc(C(F)(F)F)n2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.34
IDH2 P48735 1/20 0.33
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
APLNR P35414 1/20 0.31
HPGDS O60760 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL13705258 1.00 IDH1 (0.34) IDH1IDH2ABHD6DAGLAHDAC8
SCHEMBL4296669 0.94 HTR1A (0.30)
SCHEMBL4284686 0.94 HTR1A (0.30)
SCHEMBL13705255 0.89 USP30 (0.33) ABHD6DAGLAAPLNRHPGDSUSP30
SCHEMBL13705260 0.89 USP30 (0.33) ABHD6DAGLAAPLNRHPGDSUSP30
SCHEMBL13705263 0.88 IDH1 (0.36) IDH1IDH2ABHD6DAGLAAPLNR
Hydrochloric Acid SCHEMBL4285131 0.86 USP19 (0.33)
Hydrochloric Acid SCHEMBL4287483 0.86 USP19 (0.33)
Hydrochloric Acid SCHEMBL4281611 0.86 USP19 (0.33)
SCHEMBL13705297 0.85 APLNR (0.34) ABHD6DAGLAAPLNRHPGDSUSP30

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT IDH1 112/4885IDH2 155/4885ABHD6 3736/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT IDH1 112/4885IDH2 155/4885ABHD6 3736/4885

“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.