SCHEMBL18094468

SCHEMBL18094468

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.60
▸ SCN9A Q15858 1/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL18094486 0.89 ADORA3 (0.48) LRRK2ADORA3L3MBTL1NCOA1NPC1
SCHEMBL18094515 0.89 ADORA3 (0.48) LRRK2SCN9AADORA3HDAC1HDAC2
SCHEMBL24107632 0.83 ADORA3 (0.69) LRRK2ADORA3MAPTL3MBTL1NCOA1
SCHEMBL16718868 0.83 ADORA3 (0.69) ADORA3NPC1
SCHEMBL18094474 0.82 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1
SCHEMBL18094547 0.81 LRRK2 (0.57) LRRK2MAPTSMN1; SMN2ALDH1A1
SCHEMBL18094504 0.81 ADORA3 (0.68) ADORA3SMN1; SMN2
SCHEMBL16718839 0.81 ADORA3 (0.63) ADORA3NPC1
SCHEMBL18094567 0.81 LRRK2 (0.56) LRRK2HDAC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18094506 0.80 NPC1 (0.53) ADORA3MAPTTP53NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US claimed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US claimed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US claimed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — 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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LRRK2 3698/4885SCN9A 3907/4885ADORA3 648/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LRRK2 3698/4885SCN9A 3907/4885ADORA3 648/4885

“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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