SCHEMBL6826895

SCHEMBL6826895

N#CC(C=O)c1nccs1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSA P10619 4/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6218499 0.74 LMNA (0.37) ALDH1A1TSHRNOS1HSD17B10CTSA
SCHEMBL27524799 0.71
SCHEMBL12716491 0.71
SCHEMBL6502038 0.71
SCHEMBL2358652 0.71
SCHEMBL3737746 0.71
SCHEMBL29022425 0.71
Hydrochloric Acid SCHEMBL5847826 0.69 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10CTSA
SCHEMBL27813784 0.67 ALDH1A1 (0.33) ALDH1A1TSHRNOS1HSD17B10CTSA
SCHEMBL10824243 0.67 CTSA (0.38) ALDH1A1TSHRCTSALMNANPC1

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
CN-112533999-B Coloring composition 住友化学株式会社 2023-02-17 CN disclosed
CN-112533999-A Coloring composition 住友化学株式会社 2021-03-19 CN disclosed
WO-2020031799-A1 COLORING COMPOSITION 住友化学株式会社 2020-02-13 WO disclosed
CN-1489577-A Cyanothioacetamide derivatives and process for preparing same �ձ�������ʽ���� 2004-04-14 CN disclosed
CN-1489577-A Cyanothioacetamide derivatives and process for preparing same �ձ�������ʽ���� 2004-04-14 CN disclosed
US-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NIPPON SODA CO., LTD. (JP) 2004-03-25 US disclosed
US-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NIPPON SODA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1367049-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2003-12-03 EP disclosed
EP-1367049-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002076962-A1 PROCESS FOR PRODUCING 3-OXO-2-(2-THIAZOLYL)PROPANENITRILE AND INTERMEDIATE NIPPON SODA CO.,LTD. (JP) 2002-10-03 WO disclosed
WO-2002076962-A1 PROCESS FOR PRODUCING 3-OXO-2-(2-THIAZOLYL)PROPANENITRILE AND INTERMEDIATE NIPPON SODA CO.,LTD. (JP) 2002-10-03 WO disclosed
WO-2002064554-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO.,LTD. (JP) 2002-08-22 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 (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-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NAT1, ACAA2, ACAT2 ALDH1A1 96/4885TSHR 2186/4885NOS1 248/4885

“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.