SCHEMBL866806

SCHEMBL866806

CCN(CC)C(=S)COc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 9/20 0.40
KDM4E B2RXH2 5/20 0.40
GLA P06280 3/20 0.40
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL867888 0.92 ATP4A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL867939 0.90 ATP4A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL867783 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL867655 0.88 TSHR (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10019488 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL867286 0.82 TSHR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10019487 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL868332 0.81 KMT2A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL867473 0.81 ATP4A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28948316 0.77 MAPT (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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 12 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-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-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-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-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
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
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 4221/4885RAB9A 2107/4885SMN1; SMN2 3886/4885

“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.