SCHEMBL5582278

SCHEMBL5582278

O=C1/C(=C\c2ccc(F)cc2)Cc2c1ccc1[nH]nnc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
IKBKB O14920 1/20 0.43
HSD11B1 P28845 2/20 0.42
CYP19A1 P11511 4/20 0.39
TNF P01375 1/20 0.38
ACHE P22303 1/20 0.36
PAX8 Q06710 1/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL14524732 1.00 MAOA (0.46) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL5582279 1.00 MAOA (0.46) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL29038278 0.71 TYR (0.56) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL29038274 0.71 TYR (0.56) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL29038239 0.69 MAOB (0.52) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL29038268 0.69 CYP19A1 (0.71) MAOAMAOBCYP19A1TNF
SCHEMBL29038235 0.69 MAOB (0.52) MAOAMAOBIKBKBHSD11B1CYP19A1
SCHEMBL29038266 0.69 CYP19A1 (0.71) MAOAMAOBCYP19A1TNF
SCHEMBL29038276 0.67 MAOB (0.78) MAOAMAOBHSD11B1CYP19A1
SCHEMBL29038279 0.67 MAOB (0.78) MAOAMAOBHSD11B1CYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
EP-1680447-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-07-19 EP disclosed
WO-2005040212-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-05-06 WO 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 4094/4885IKBKB 469/4885

“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.