SCHEMBL16108396

SCHEMBL16108396

COc1cccc(C2(c3cccc(-c4cccnc4)c3)NC(=N)N(C3CCCCC3)C2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.60
CTSD P07339 4/20 0.60
CTSE P14091 2/20 0.60
BACE2 Q9Y5Z0 3/20 0.44

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
SCHEMBL16108315 0.94 BACE1 (0.66) BACE1CTSDCTSEBACE2
SCHEMBL16108804 0.92 BACE1 (0.60) BACE1CTSDCTSEBACE2
SCHEMBL16108346 0.91 BACE1 (0.53) BACE1CTSDCTSEBACE2
SCHEMBL16108026 0.89 BACE1 (0.62) BACE1CTSDCTSEBACE2
SCHEMBL16108836 0.89 BACE1 (0.58) BACE1CTSDCTSE
SCHEMBL16108579 0.88 BACE1 (0.56) BACE1CTSDCTSE
SCHEMBL16108263 0.87 BACE1 (0.61) BACE1CTSDCTSEBACE2
SCHEMBL16109332 0.86 BACE1 (0.55) BACE1CTSDCTSE
SCHEMBL16108518 0.85 BACE1 (0.51) BACE1CTSDCTSE
SCHEMBL16109180 0.85 BACE1 (0.54) BACE1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US claimed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO claimed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 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-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE BACE1 4/4885CTSD 72/4885CTSE 40/4885

“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.