SCHEMBL867835

SCHEMBL867835

CNC(=S)c1c2ccccc2cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP2C19 P33261 2/20 0.48
GLA P06280 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLK1 P53350 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL28879841 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL19563744 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL1478795 0.74 MEN1 (0.61) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL13379384 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL30020345 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL18155120 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL21164724 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL10559440 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL14108347 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL28879939 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACYP1A2

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-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 ALDH1A1 787/4885KDM4E 1925/4885MEN1 1801/4885

“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.