SCHEMBL7913786

SCHEMBL7913786

N#CCc1cc(N2CCCCC2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 3/20 0.39
TERT O14746 3/20 0.39
ALOX15 P16050 3/20 0.39
S100B P04271 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL7913925 0.82 SOS1 (0.33) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL194982 0.81 LMNA (0.39) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL7921899 0.79 ALDH1A1 (0.42) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL7920120 0.78 CTSC (0.43) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL7913817 0.78 L3MBTL1 (0.45) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL7916967 0.78 SLC16A3 (0.50) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL16404654 0.76 TDP1 (0.44) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL1514606 0.73 TDP1 (0.45) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL12497577 0.73 CHKA (0.47) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL16404650 0.72 LMNA (0.43) ALDH1A1MAPTTDP1MEN1KMT2A

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 5 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-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-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
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885MAPT 8/4885TDP1 924/4885

“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.