SCHEMBL867783

SCHEMBL867783

CN(C)C(=S)COc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 4/20 0.41
APP P05067 1/20 0.40
MAPT P10636 11/20 0.39
KDM4E B2RXH2 7/20 0.39
GLA P06280 3/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NFKB1 P19838 1/20 0.39
MPI P34949 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 3/20 0.38

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
SCHEMBL866806 0.90 NPC1 (0.40) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10019488 0.88 NPC1 (0.44) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL867888 0.88 ATP4A (0.41) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL868332 0.87 KMT2A (0.46) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL867939 0.86 ATP4A (0.44) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10019487 0.84 NPC1 (0.49) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL867655 0.81 TSHR (0.52) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL867286 0.80 TSHR (0.42) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL30171250 0.79 MAPT (0.56) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL28948316 0.79 MAPT (0.56) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2

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-8058074-B2 8-hydroxyquinoline acetamide compound, 8-hydroxy quinoline thioamide compound and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-11-15 US claimed
US-20080044913-A1 NOVEL 8-HYDROXYQUINOLINE ACETAMIDE COMPOUND, 8-HYDROXY QUINOLINE THIOAMIDE COMPOUND AND USE THEREOF CHUNG-ANG UNIVERSITY INUDSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2008-02-21 US claimed
US-8377698-B2 8-hydroxyquinoline acetamide compound, 8-hydroxy quinoline thioamide compound and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-19 US disclosed
US-20120077275-A1 NOVEL 8-HYDROXYQUINOLINE ACETAMIDE COMPOUND, 8-HYDROXY QUINOLINE THIOAMIDE COMPOUND AND USE THEREOF SAMSUNG ELECTRONICS CO.. LTD. (KR) 2012-03-29 US disclosed
US-8058074-B2 8-hydroxyquinoline acetamide compound, 8-hydroxy quinoline thioamide compound and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-11-15 US disclosed
US-20080044913-A1 NOVEL 8-HYDROXYQUINOLINE ACETAMIDE COMPOUND, 8-HYDROXY QUINOLINE THIOAMIDE COMPOUND AND USE THEREOF CHUNG-ANG UNIVERSITY INUDSTRY-ACADEMY COOPERATION FOUNDATION (KR) 2008-02-21 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-20080044913-A1 NOVEL 8-HYDROXYQUINOLINE ACETAMIDE COMPOUND, 8-HYDROXY QUINOLINE THIOAMIDE COMPOUND AND USE THEREOF TST, TMT1A, HDHD5 NPC1 4221/4885ALDH1A1 787/4885RAB9A 2107/4885

“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.