SCHEMBL13399998

SCHEMBL13399998

N=C(N)NCCCCC(=O)NCNC(=O)CCCCNC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
DNM1 Q05193 2/20 0.40
CASP2 P42575 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
FAAH O00519 1/20 0.38
TSHR P16473 2/20 0.37
PRMT1 Q99873 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL22188060 0.85 FAAH (0.55) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL12438897 0.85 NAAA (0.46) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL12954814 0.85 SLC6A5 (0.46) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL12071641 0.85 ALOX15 (0.42) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL24620412 0.83 SMN1; SMN2 (0.44) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3986924 0.83 PRMT1 (0.55) SMN1; SMN2MEN1KMT2ACYP1A2CASP2
SCHEMBL8994727 0.83 PTPN1 (0.45) ALOX15SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL8770877 0.83 PRMT1 (0.55) SMN1; SMN2MEN1KMT2ACYP1A2CASP2
SCHEMBL27112953 0.83 CASP2 (0.61) DNM1CASP2SLC6A5FAAHNAAA
SCHEMBL26870168 0.83 PRMT1 (0.55) SMN1; SMN2MEN1KMT2ACYP1A2CASP2

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-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US 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 (2 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-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 ALOX15 850/4885SMN1; SMN2 3534/4885MEN1 4052/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 ALOX15 850/4885SMN1; SMN2 3534/4885MEN1 4052/4885

“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.