SCHEMBL2646520

SCHEMBL2646520

O=C(C=Cc1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.63
MAOB P27338 5/20 0.59
CYP2D6 P10635 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
CYP3A4 P08684 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
BCHE P06276 5/20 0.54
ACHE P22303 2/20 0.54
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 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
SCHEMBL6917909 0.91 MAOB (0.57) ABCG2MAOBCYP2D6LMNAMAPT
SCHEMBL2646597 0.87 CYP3A4 (0.66) MAOBCYP2D6LMNAMAPTNPC1
SCHEMBL2664927 0.87 CYP3A4 (0.66) MAOBCYP2D6LMNAMAPTNPC1
SCHEMBL2646518 0.86 MAOB (0.64) MAOBCYP2D6MAPTMEN1ALDH1A1
SCHEMBL2647392 0.85 CYP2D6 (0.63) MAOBCYP2D6LMNAMAPTNPC1
SCHEMBL2647408 0.84 NPC1 (0.53) ABCG2MAOBCYP2D6LMNAMAPT
SCHEMBL2664949 0.84 NPC1 (0.53) ABCG2MAOBCYP2D6LMNAMAPT
SCHEMBL3735487 0.83 MAOB (0.51) ABCG2MAOBCYP2D6LMNAMAPT
SCHEMBL2647210 0.82 SRD5A2 (0.58) MAOBCYP2D6LMNAMAPTNPC1
SCHEMBL2647212 0.82 SRD5A2 (0.58) MAOBCYP2D6LMNAMAPTNPC1

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 ABCG2 2300/4885MAOB 3317/4885CYP2D6 2704/4885

“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.