SCHEMBL10046468

SCHEMBL10046468

FC(F)(F)Oc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRK1 P41145 2/20 0.42
OPRM1 P35372 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
GRIN2B Q13224 2/20 0.40
ACHE P22303 2/20 0.40
FAAH O00519 3/20 0.37
ACP1 P24666 1/20 0.37
SLC7A5 Q01650 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL522257 0.83 PTAFR (0.47) MEN1KMT2AOPRK1OPRM1
SCHEMBL522607 0.83 OPRK1 (0.43) OPRK1OPRM1NISCH
SCHEMBL10046459 0.82 PTAFR (0.42) MEN1KMT2AOPRK1OPRM1
SCHEMBL522530 0.82 CYP19A1 (0.41) MEN1KMT2AOPRK1OPRM1
SCHEMBL10046462 0.81 PTAFR (0.44) MEN1KMT2AOPRK1OPRM1
SCHEMBL10046464 0.80 NPC1 (0.54) MEN1KMT2AFAAH
SCHEMBL521671 0.78 PTAFR (0.45) OPRK1OPRM1
SCHEMBL522532 0.78 SLC6A3 (0.44) MEN1KMT2AOPRK1OPRM1HRH3
SCHEMBL10046461 0.76 OPRL1 (0.45) MEN1KMT2A
SCHEMBL10046463 0.76 OPRD1 (0.50) MEN1KMT2AOPRK1OPRM1

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-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 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-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES CLIC1, NAT1, NMRAL1 MEN1 249/4885KMT2A 286/4885OPRK1 510/4885

“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.