SCHEMBL10236244

SCHEMBL10236244

Cc1nc2n(n1)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTT P42858 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
SCHEMBL2666680 0.98 ALDH1A1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL10236227 0.91
SCHEMBL2492091 0.77 ALDH1A1 (0.45) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL2491342 0.75 MEN1 (0.44) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL2546676 0.74 ALDH1A1 (0.42) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL18615155 0.72 ALDH1A1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL2651142 0.72 MEN1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL31456615 0.72 MEN1 (0.41) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL6900253 0.72 ALDH1A1 (0.37) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL12050030 0.72 ALDH1A1 (0.37) ALDH1A1MEN1MAPTBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 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 (2 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885MEN1 387/4885MAPT 8/4885
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 ALDH1A1 1045/4885MEN1 771/4885MAPT 133/4885

“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.