SCHEMBL4679916

SCHEMBL4679916

N#CN=C(N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
IDO1 P14902 1/20 0.52
MAPT P10636 6/20 0.51
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 1/20 0.50
KIF11 P52732 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.48
PTGS1 P23219 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL4679913 1.00 ALDH1A1 (0.57) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL17238091 0.82 MAPT (0.51) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL14271353 0.82 L3MBTL1 (0.52) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL4678378 0.80 TSHR (0.52) ALDH1A1IDO1MAPTGAATDP1
SCHEMBL4678380 0.80 TSHR (0.52) ALDH1A1IDO1MAPTGAATDP1
SCHEMBL16013095 0.79 MAPT (0.50) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL16013094 0.79 MAPT (0.50) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL6720756 0.78 HTR3E (0.64) ALDH1A1IDO1MAPTGAANPSR1
SCHEMBL4682280 0.77 HTR3E (0.64) ALDH1A1IDO1MAPTGAATDP1
SCHEMBL4682283 0.77 HTR3E (0.64) ALDH1A1IDO1MAPTGAATDP1

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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ALDH1A1 704/4885IDO1 2680/4885MAPT 2939/4885

“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.