SCHEMBL19449705

SCHEMBL19449705

N=C(N/N=C/c1ccc2[nH]ccc2c1)N/N=C/c1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.55
▸ GRIN2D O15399 1/20 0.54
▸ GRIN3B O60391 1/20 0.54
▸ GRIN1 Q05586 1/20 0.54
▸ GRIN2A Q12879 1/20 0.54
▸ GRIN2B Q13224 1/20 0.54
▸ GRIN2C Q14957 1/20 0.54
▸ GRIN3A Q8TCU5 1/20 0.54
▸ CYP2A6 P11509 2/20 0.50
▸ AURKA O14965 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAD51 Q06609 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
Hydrochloric Acid SCHEMBL17560835 0.98 GRIN2D (0.56) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17044457 0.88 GRIN2D (0.58) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17044454 0.88 GRIN2D (0.58) FAAHGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5703222 0.87 GRIN2D (0.60) FAAHGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6511647 0.87 GRIN2D (0.60) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16224355 0.85 GRIN2D (0.55) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13569018 0.81 FAAH (0.64) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23709445 0.80 AURKA (0.41) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13569000 0.79 HDAC2 (0.61) FAAHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13569025 0.78 FAAH (0.60) FAAHGRIN2DGRIN3BGRIN1GRIN2A

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 FAAH 603/4885GRIN2D 4499/4885GRIN3B 4132/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS FAAH 603/4885GRIN2D 4499/4885GRIN3B 4132/4885

“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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