SCHEMBL16108643

SCHEMBL16108643

O=C(C(=O)C1CC1)c1cccc(-c2cncc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GSK3B P49841 2/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
BACE1 P56817 3/20 0.41
KCNH2 Q12809 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
KMO O15229 1/20 0.40
DYRK1A Q13627 2/20 0.39
PLCG1 P19174 1/20 0.38
MAP4K4 O95819 1/20 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
SCHEMBL16108592 0.94 MKNK1 (0.43) MAPTGSK3BMKNK1MKNK2RXRA
SCHEMBL16109170 0.82 KMO (0.61) GSK3BMKNK1MKNK2KMODYRK1A
SCHEMBL16108917 0.82 SUCNR1 (0.45) RXRARXRBKMOMAP4K4
SCHEMBL16108586 0.81 ABL1 (0.49) GSK3BBACE1BACE2KMODYRK1A
SCHEMBL16109039 0.79 BACE1 (0.46) MAPTGSK3BBACE1KCNH2BACE2
SCHEMBL17779977 0.78 KMO (0.55) KMO
SCHEMBL16108712 0.77 PARP1 (0.52) MAPT
SCHEMBL16108767 0.76 KMO (0.57) GSK3BMKNK1MKNK2KCNH2KMO
SCHEMBL22172103 0.73 MKNK1 (0.58) MAPTMKNK1MKNK2RXRARXRB
SCHEMBL16108333 0.72 RXFP1 (0.37) MAPTRXRARXRBKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 211/4885GSK3B 1050/4885MKNK1 3209/4885

“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.