SCHEMBL236991

SCHEMBL236991

O=Cc1ccc(N2CCCCC2)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 7/20 0.66
ALDH1A1 P00352 12/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 5/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.53
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ALDH3A1 P30838 1/20 0.47
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CSF1R P07333 1/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.39
S100B P04271 1/20 0.39

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
SCHEMBL5179998 0.83 ALDH1A3 (0.69) ALDH1A3ALDH1A1SMN1; SMN2MAPTALDH3A1
SCHEMBL3686459 0.83 ALDH1A1 (0.56) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL7164622 0.83 ALDH1A3 (0.48) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL21294114 0.83 ALDH1A1 (0.55) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29133207 0.82 ALDH1A3 (0.59) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL19212190 0.81 ALDH1A3 (0.46) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL11305457 0.81 ALDH1A3 (0.96) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL15339337 0.79 ALDH1A3 (1.00) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29728056 0.79 ALDH1A1 (0.97) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1873733 0.79 ALDH1A1 (0.97) ALDH1A3ALDH1A1SMN1; SMN2MAPTMEN1

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 6 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
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP 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
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP 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 ALDH1A3 4700/4885ALDH1A1 3158/4885SMN1; SMN2 357/4885

“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.