SCHEMBL19449751

SCHEMBL19449751

C/C(O)=C(O)\C(=C/C1CCCCC1)\C=N\Nc1cc(N/N=C/c2cccc(O)c2O)nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 12/20 0.40
▸ KMT2A Q03164 12/20 0.40
▸ LMNA P02545 7/20 0.40
▸ PAX8 Q06710 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 10/20 0.39
▸ POLB P06746 8/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL21882648 0.92 MEN1 (0.38) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL19449735 0.67 GAA (0.58) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL17560799 0.65 GAA (0.52) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL17560796 0.65 GAA (0.52) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL19449748 0.64 KMT2A (0.66) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL11961913 0.60 GAA (0.79) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL1443318 0.60 GAA (0.79) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL17897810 0.59 ALDH1A1 (0.69) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL8848959 0.58 NOX4 (0.76) MAPTKDM4ENPC1MEN1KMT2A
SCHEMBL8848964 0.58 NOX4 (0.76) MAPTKDM4ENPC1MEN1KMT2A

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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 — — 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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885KDM4E 3521/4885NPC1 282/4885

“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.

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