SCHEMBL5581887

SCHEMBL5581887

CC(=O)Nc1ccc2c(c1C)C/C(=C/c1ccc(F)cc1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
TYR P14679 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 2/20 0.40
IKBKB O14920 1/20 0.39
CES2 O00748 1/20 0.38
ACHE P22303 1/20 0.38
PAX8 Q06710 1/20 0.38
CYP19A1 P11511 4/20 0.37

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
SCHEMBL5581891 1.00 MAOA (0.47) MAOAMAOBTYRNPC1RAB9A
SCHEMBL14524718 1.00 MAOA (0.47) MAOAMAOBTYRNPC1RAB9A
SCHEMBL5582482 0.88 TYR (0.48) MAOAMAOBTYRNPC1RAB9A
SCHEMBL14524731 0.88 TYR (0.48) MAOAMAOBTYRNPC1RAB9A
SCHEMBL5582483 0.88 TYR (0.48) MAOAMAOBTYRNPC1RAB9A
SCHEMBL29038266 0.70 CYP19A1 (0.71) MAOAMAOBTYRCYP19A1
SCHEMBL29038268 0.70 CYP19A1 (0.71) MAOAMAOBTYRCYP19A1
SCHEMBL29038278 0.69 TYR (0.56) MAOAMAOBTYRHSD11B1IKBKB
SCHEMBL29038274 0.69 TYR (0.56) MAOAMAOBTYRHSD11B1IKBKB
SCHEMBL29038235 0.67 MAOB (0.52) MAOAMAOBHSD11B1IKBKBCYP19A1

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-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 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-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 MAOA 3826/4885MAOB 4094/4885TYR 3418/4885

“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.