SCHEMBL4139993

SCHEMBL4139993

O=C(N1CCc2cc(I)ccc21)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
NOTUM Q6P988 5/20 0.50
ABHD6 Q9BV23 1/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B2 P19099 4/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP11B1 P15538 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL2616878 0.91 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8801961 0.83 CA1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL2081068 0.82 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL13624158 0.82 NOTUM (0.66) CA12CA1CA2CA7CA9
SCHEMBL2083808 0.82 ABHD6 (0.64) CA12CA1CA2CA7CA9
SCHEMBL15690093 0.81 NOTUM (0.49) CA12CA1CA2CA7CA9
SCHEMBL17858266 0.81 CA12 (0.82) CA12CA1CA2CA7CA9
SCHEMBL4514374 0.80 NOTUM (0.69) NOTUMNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2616960 0.79 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL2616853 0.79 CA12 (0.44) CA12CA1CA2CA7CA9

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-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 CA12 4825/4885CA1 4883/4885CA2 4797/4885

“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.