SCHEMBL17560740

SCHEMBL17560740

COc1ccc(C=NNC(N)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
KMT2A Q03164 4/20 0.71
POLB P06746 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAOA P21397 1/20 0.71
SCN4A P35499 1/20 0.66
SCN9A Q15858 1/20 0.66
RAB9A P51151 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57

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
SCHEMBL17560738 1.00 CYP1A2 (0.73) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL6162208 0.95 SCN4A (0.74) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL17560844 0.86 CYP1A2 (0.78) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL19449690 0.86 CYP1A2 (0.78) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL2491390 0.85 CYP1A2 (1.00) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL2491393 0.85 CYP1A2 (1.00) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL29659678 0.85 CYP1A2 (0.76) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL24211799 0.83 MAOA (0.71) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL2335529 0.83 MAOA (0.71) CYP1A2KMT2APOLBSMN1; SMN2MAOA
SCHEMBL5614430 0.83 MAOA (1.00) CYP1A2SMN1; SMN2MAOARAB9ALMNA

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 4 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
CN-107106524-A Methods for treating protozoal infections 尼奥酷里私人有限公司 2017-08-29 CN 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

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 CYP1A2 110/4885KMT2A 2912/4885POLB 3872/4885

“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.