SCHEMBL1243541

SCHEMBL1243541

ONC(=Nc1ccc(Cl)nn1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1242495 0.77 JUN (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL1242498 0.77 JUN (0.33) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL31200472 0.74 ALDH1A1 (0.34) ALDH1A1GAAMAPT
SCHEMBL27548236 0.69 ADRA2A (0.52) ALDH1A1GAAMAPT
SCHEMBL6213276 0.67 NOS1 (0.38) ALDH1A1GAAMAPT
SCHEMBL1243539 0.67 GAA (0.43) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL6219536 0.65 ALDH1A1 (0.35) ALDH1A1GAAMAPT
SCHEMBL6621084 0.63 LMNA (0.33) ALDH1A1
SCHEMBL15563054 0.63 ALDH1A1 (0.32) ALDH1A1GAAMAPT
SCHEMBL2493593 0.63 ALDH1A1 (0.34) ALDH1A1GAAMAPT

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-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 JUN 3114/4885NFKB1 3040/4885NFKB2 3890/4885

“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.