SCHEMBL29784144

SCHEMBL29784144

O=C(O)c1cccc(-c2cc(F)cc(F)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.66
RXRA P19793 2/20 0.62
RXRB P28702 2/20 0.62
ERN1 O75460 2/20 0.56
MAP2K4 P45985 1/20 0.50
DHODH Q02127 1/20 0.50
KEAP1 Q14145 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
DCLRE1B Q9H816 1/20 0.47

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
SCHEMBL410738 1.00 KMO (0.66) KMORXRARXRBERN1MAP2K4
SCHEMBL121809 0.90 KMO (0.68) KMORXRARXRBERN1MAP2K4
SCHEMBL30189265 0.87 KMO (0.53) KMORXRARXRBDHODHDCLRE1B
SCHEMBL2160048 0.87 KMO (0.53) KMORXRARXRBDHODHDCLRE1B
SCHEMBL10012987 0.86 KMO (0.79) KMORXRARXRBERN1DHODH
SCHEMBL16429234 0.86 KMO (0.87) KMORXRARXRBERN1DHODH
SCHEMBL71238 0.85 KMO (0.86) KMORXRARXRBERN1KEAP1
SCHEMBL30725957 0.85 KMO (0.86) KMORXRARXRBERN1KEAP1
SCHEMBL29904709 0.85 KMO (0.86) KMORXRARXRBERN1KEAP1
SCHEMBL3210250 0.85 KMO (0.60) KMORXRARXRBERN1DHODH

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG KMO 2815/4885RXRA 4515/4885RXRB 4498/4885

“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.