SCHEMBL17816398

SCHEMBL17816398

CN1C=CC(N2CCCCC2)=CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27978619 0.98
Iodide SCHEMBL27978826 0.96
Water SCHEMBL28114168 0.96
SCHEMBL24783748 0.84 ADRA2C (0.34) ALDH1A1KMT2A
SCHEMBL28371969 0.74 GRM2 (0.35)
SCHEMBL27978570 0.73
Bromide SCHEMBL28937712 0.72
SCHEMBL27978567 0.72 GRM2 (0.43) ALDH1A1
Iodide SCHEMBL28813765 0.72
Water SCHEMBL27978569 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862732-B2 Regioselective 1,2-dearomatization of functionalized azines by organolanthanide catalysts NORTHWESTERN UNIVERSITY (US) 2018-01-09 US disclosed
US-20160159825-A1 Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts NATIONAL SCIENCE FOUNDATION 2016-06-09 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-20160159825-A1 Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts DERL1, AZI2, AOC2 MEN1 1540/4885ALDH1A1 335/4885KMT2A 2267/4885

“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.