SCHEMBL19449697

SCHEMBL19449697

COc1ccc(/C=N/NC(=N)N/N=C/c2ccc(OC)c(O)c2)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
CYP1A2 P05177 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MPO P05164 2/20 0.61
GAA P10253 4/20 0.58
ALDH1A1 P00352 3/20 0.58
DNM1 Q05193 1/20 0.58
HTT P42858 1/20 0.58
GFER P55789 1/20 0.58
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MMP9 P14780 1/20 0.55
TLR9 Q9NR96 1/20 0.54

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
Hydrochloric Acid SCHEMBL17560998 0.98 MAPT (0.62) MAPTCYP1A2SMN1; SMN2MPOGAA
SCHEMBL13673570 0.93 SMN1; SMN2 (0.60) MAPTCYP1A2SMN1; SMN2MPOGAA
SCHEMBL13673573 0.93 SMN1; SMN2 (0.60) MAPTCYP1A2SMN1; SMN2MPOGAA
SCHEMBL7747080 0.88 SMN1; SMN2 (0.64) MAPTCYP1A2SMN1; SMN2MPOGAA
SCHEMBL7747076 0.88 SMN1; SMN2 (0.64) MAPTCYP1A2SMN1; SMN2MPOGAA
SCHEMBL16224335 0.88 MMP9 (0.70) MAPTSMN1; SMN2MPOGAAALDH1A1
SCHEMBL19449727 0.88 ALDH1A1 (0.65) MAPTSMN1; SMN2GAAALDH1A1HTT
Hydrochloric Acid SCHEMBL17561015 0.87 MMP9 (0.68) MAPTSMN1; SMN2MPOGAAALDH1A1
Hydrochloric Acid SCHEMBL17560904 0.86 ALDH1A1 (0.63) MAPTSMN1; SMN2GAAALDH1A1HTT
SCHEMBL20878236 0.86 SMN1; SMN2 (0.50) MAPTCYP1A2SMN1; SMN2MPOGAA

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
EP-3960729-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS Neoculi Pty Ltd (AU) 2022-03-02 EP disclosed
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 EP disclosed
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 EP disclosed
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 US disclosed
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 (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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885CYP1A2 110/4885SMN1; SMN2 3002/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885CYP1A2 110/4885SMN1; SMN2 3002/4885

“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.