SCHEMBL168520

SCHEMBL168520

O=C(Nc1ccccc1)c1cscn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.63
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.55
GRM1 Q13255 1/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PIM1 P11309 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDR P35968 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL29684533 0.87 HDAC6 (0.60) GRM4SMN1; SMN2GRM1KDM4EALDH1A1
SCHEMBL28176826 0.85 GRM4 (0.54) GRM4SMN1; SMN2GRM1RAB9AKDM4E
SCHEMBL1249547 0.85 GRM4 (0.58) GRM4SMN1; SMN2PTGDR2GRM1RAB9A
SCHEMBL2430624 0.83 GRM4 (0.56) GRM4SMN1; SMN2PTGDR2GRM1RAB9A
SCHEMBL38654703 0.83 PTGS2 (0.51) GRM4SMN1; SMN2PTGDR2GRM1KDM4E
SCHEMBL15070508 0.83 RAB9A (0.59) GRM4SMN1; SMN2PTGDR2GRM1RAB9A
SCHEMBL15701090 0.83 GRM4 (0.56) GRM4POLBSMN1; SMN2PTGDR2GRM1
SCHEMBL15707419 0.82 GRM4 (0.53) GRM4PTGDR2GRM1PIM1KDR
SCHEMBL15701289 0.82 KMT2A (0.63) GRM4POLBSMN1; SMN2PTGDR2KDM4E
SCHEMBL15707586 0.81 GRM4 (0.49) GRM4SMN1; SMN2PTGDR2GRM1RAB9A

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
CN-122071437-A Synthesis and application of 2- (3, 4-dimethoxy benzoyl amino) thiazole-4-amide derivative 江苏海洋大学 2026-05-22 CN disclosed
CN-122010867-A L-carvone hydrazone derivative and application thereof 南京农业大学 2026-05-12 CN disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
CN-105085429-B Aromatic heterocyclic derivative and application thereof in medicines 广东东阳光药业有限公司 2019-12-10 CN disclosed
CN-110218158-A A method of photocatalytic synthesis is at amide compound in water phase 福建医科大学 2019-09-10 CN disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
WO-2015161830-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 WO disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 GRM4 3033/4885POLB 234/4885SMN1; SMN2 4315/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GRM4 1897/4885POLB 430/4885SMN1; SMN2 2298/4885

“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.