SCHEMBL17560805

SCHEMBL17560805

COc1cccc(/C=N/NC(N)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ MAPT P10636 5/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.62
▸ LMNA P02545 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ PKM P14618 1/20 0.60
▸ TAAR1 Q96RJ0 1/20 0.58
▸ GAA P10253 2/20 0.58
▸ PSMD14 O00487 1/20 0.58
▸ MDM2 Q00987 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ CHRM5 P08912 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL17560806 1.00 NPC1 (0.65) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL19449718 0.88 NPC1 (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17560868 0.88 NPC1 (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4111704 0.87 CYP1A2 (0.68) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4111701 0.87 CYP1A2 (0.68) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28642850 0.85 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7747064 0.85 TAAR1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7747066 0.85 TAAR1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13569019 0.84 MAPT (0.69) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL15694760 0.84 NPC1 (0.62) NPC1RAB9AKMT2AMEN1MAPT

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
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 — — US claimed
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 — — EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 — — WO claimed
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-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 NPC1 282/4885RAB9A 3198/4885KMT2A 2912/4885

“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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