SCHEMBL4901913

SCHEMBL4901913

Cn1cncc1CN(CCNC(=O)c1ccccn1)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.49
FNTB P49356 5/20 0.49
PGGT1B P53609 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 1/20 0.40
GFER P55789 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4893197 0.78 FNTA (0.45) FNTAFNTBPGGT1BMAPTKDM4E
SCHEMBL4901285 0.75 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4896990 0.74 FNTA (0.50) FNTAFNTBPGGT1BKMT2ASMN1; SMN2
SCHEMBL4898703 0.72 FNTA (0.53) FNTAFNTBPGGT1BGFER
SCHEMBL4900259 0.72 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL4897830 0.72 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL4896396 0.70 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL4896717 0.70 FNTA (0.54) FNTAFNTBPGGT1BGFER
SCHEMBL4901935 0.69 FNTA (0.57) FNTAFNTBPGGT1BGFER
SCHEMBL12247943 0.68 ALOX15 (0.77) KMT2AMEN1ALOX15SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 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 (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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS FNTA 18/4885FNTB 38/4885PGGT1B 912/4885

“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.