SCHEMBL16108767

SCHEMBL16108767

O=C(C(=O)C1CCCCC1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
MKNK1 Q9BUB5 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
ABL1 P00519 2/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GSK3B P49841 2/20 0.45
CDK2 P24941 1/20 0.45
ATM Q13315 3/20 0.44
ATR Q13535 3/20 0.44
DYRK1A Q13627 3/20 0.44
DYRK1B Q9Y463 1/20 0.44
CYP11B1 P15538 1/20 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
SCHEMBL16109170 0.93 KMO (0.61) KMOHDAC3HDAC1HDAC2MKNK1
SCHEMBL16108592 0.84 MKNK1 (0.43) KMOHDAC3HDAC1HDAC2MKNK1
SCHEMBL17779987 0.83 KMO (0.50) KMOALDH1A1
SCHEMBL16108852 0.79 MKNK1 (0.59) KMOHDAC3HDAC1HDAC2MKNK1
SCHEMBL16109362 0.77 KMO (0.76) KMOHDAC1MKNK1MKNK2CYP11B1
SCHEMBL16108643 0.76 MAPT (0.47) KMOMKNK1MKNK2GSK3BDYRK1A
SCHEMBL16108312 0.76 KAT6A (0.44) GSK3B
SCHEMBL17779977 0.75 KMO (0.55) KMO
SCHEMBL27605046 0.75 KMO (0.77) KMOMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL206541 0.74 KMO (1.00) KMOMKNK1MKNK2ABL1BCR

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 KMO 868/4885HDAC3 1202/4885HDAC1 1587/4885

“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.