SCHEMBL7918934

SCHEMBL7918934

OCc1ccc(Cl)c(N2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
KCNQ2 O43526 1/20 0.43
CSF1R P07333 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A3 P47895 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CHKA P35790 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7913896 0.88 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL14948885 0.81 HTR1A (0.44) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL16726943 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMCOLN3
SCHEMBL7914765 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7906690 0.79 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL13547952 0.77 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL358763 0.76 S100B (0.59) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL4058300 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL195138 0.76 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MAPK1MEN1
SCHEMBL10088504 0.76 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2MAPK1MEN1

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
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-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
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 3158/4885POLB 2700/4885SMN1; 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.