SCHEMBL2646709

SCHEMBL2646709

O=C(C=Cc1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.84
CYP1B1 Q16678 5/20 0.59
CYP1A1 P04798 4/20 0.59
TRPM2 O94759 1/20 0.57
P4HB P07237 4/20 0.56
BCHE P06276 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PLIN1 O60240 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TNFRSF1A P19438 1/20 0.51
ACHE P22303 1/20 0.51
RECQL P46063 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
RELA Q04206 2/20 0.51
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL2665141 1.00 MAOB (0.84) MAOBCYP1B1CYP1A1TRPM2P4HB
SCHEMBL977523 0.92 MAOB (1.00) MAOBCYP1B1CYP1A1P4HBBCHE
SCHEMBL977524 0.92 MAOB (1.00) MAOBCYP1B1CYP1A1P4HBBCHE
SCHEMBL2646706 0.86 P4HB (0.76) MAOBCYP1B1CYP1A1P4HBBCHE
SCHEMBL3032561 0.83 MAOB (0.83) MAOBCYP1B1CYP1A1P4HBBCHE
SCHEMBL9779396 0.83 MAOB (0.83) MAOBCYP1B1CYP1A1P4HBBCHE
SCHEMBL8808970 0.82 MAOB (0.77) MAOBCYP1B1CYP1A1P4HBALDH1A1
SCHEMBL8808974 0.82 MAOB (0.77) MAOBCYP1B1CYP1A1P4HBALDH1A1
SCHEMBL30504740 0.82 MAOB (0.72) MAOBCYP1B1CYP1A1P4HBALDH1A1
SCHEMBL2664932 0.82 BCHE (0.60) MAOBCYP1B1P4HBBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR MAOB 3317/4885CYP1B1 3336/4885CYP1A1 2559/4885

“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.