SCHEMBL18094585

SCHEMBL18094585

O=C(Nc1nc(-c2ccccn2)ns1)c1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
ADORA3 P0DMS8 9/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL16718893 0.86 NPC1 (0.58) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL16718868 0.85 ADORA3 (0.69) NPC1RAB9AADORA3KDM4AKDM4B
SCHEMBL16718802 0.84 ADORA3 (0.69) POLBKMT2AMEN1ADORA3KDM4A
SCHEMBL18094504 0.83 ADORA3 (0.68) KMT2AMEN1ADORA3KDM4AKDM4B
SCHEMBL16718839 0.83 ADORA3 (0.63) NPC1RAB9AADORA3KDM4AKDM4B
SCHEMBL18094466 0.82 LMNA (0.56) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL16718844 0.82 ADORA3 (0.68) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL18094505 0.82 NPC1 (0.58) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL18094461 0.82 GRM1 (0.67) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL18094533 0.82 ADORA3 (0.69) NPC1RAB9AMAPTKMT2AMEN1

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 NPC1 1220/4885RAB9A 2929/4885POLB 1969/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 NPC1 1220/4885RAB9A 2929/4885POLB 1969/4885

“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.