SCHEMBL19449727

SCHEMBL19449727

COc1ccc(/C=N/NC(=N)N/N=C/c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MMP9 P14780 1/20 0.57
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALOX12 P18054 1/20 0.54
TRPM5 Q9NZQ8 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 SCHEMBL17560904 0.98 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL24211909 0.89 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16224335 0.88 MMP9 (0.70) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL19449697 0.88 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL17560998 0.86 MAPT (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL17561015 0.86 MMP9 (0.68) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL1157558 0.81 MAPT (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13673570 0.81 SMN1; SMN2 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13673573 0.81 SMN1; SMN2 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1157559 0.81 MAPT (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A

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 7 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
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 US disclosed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 US disclosed
US-10253002-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-04-09 US disclosed
US-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 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 (5 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B ALDH1A1 1016/4885MAPT 4207/4885KDM4E 3245/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B ALDH1A1 1016/4885MAPT 4207/4885KDM4E 3245/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885MAPT 3694/4885KDM4E 3521/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885MAPT 3694/4885KDM4E 3521/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B ALDH1A1 1016/4885MAPT 4207/4885KDM4E 3245/4885

“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.