Sugi Predict

Sugi Predict / Compounds / SCHEMBL14906960

SCHEMBL14906960

SCHEMBL14906960

COC(=O)Cc1cc(=O)nc(NC(=N)Nc2ccc(C)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4A O75164 1/20 0.35

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
SCHEMBL17988276 0.86 KDR (0.43) MAPK1POLBALDH1A1HSD17B10MAPT
SCHEMBL13401730 0.78 KMT2A (0.48) POLBALDH1A1TSHRHSD17B10MAPT
SCHEMBL17975331 0.77 SMN1; SMN2 (0.41) POLBALDH1A1HSD17B10TDP1MAPT
SCHEMBL17988277 0.76 POLB (0.41) POLBALDH1A1TDP1MAPTGAA
SCHEMBL14942692 0.75 USP2 (0.45) MAPK1POLBALDH1A1CASP1TSHR
SCHEMBL16035117 0.74 ALDH1A1 (0.39) POLBALDH1A1TDP1MAPTGAA
SCHEMBL17975333 0.72 HPGD (0.43) POLBALDH1A1HSD17B10MAPTKMT2A
SCHEMBL13919667 0.72 ADORA1 (0.37) POLBALDH1A1HSD17B10MAPTGAA
SCHEMBL17975332 0.70 MAPT (0.45) MAPK1POLBALDH1A1HSD17B10TDP1
SCHEMBL13919665 0.70 MAPT (0.40) POLBALDH1A1HSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 — — US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 — — US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 — — US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 — — US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 — — 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 MAPK1 3475/4885POLB 2487/4885ALDH1A1 204/4885

“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.