SCHEMBL2663103

SCHEMBL2663103

CCNCc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
NR1H4 Q96RI1 3/20 0.51
EPHX2 P34913 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
RARB P10826 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3503996 0.87 ALDH1A1 (0.81) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL15392980 0.85 ALDH1A1 (0.78) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
Terephthalic Acid SCHEMBL31728724 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2KDM4EHPGD
Terephthalic Acid SCHEMBL27842309 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2KDM4EHPGD
Diethylamine SCHEMBL11526218 0.84 ALDH1A1 (0.80) ALDH1A1KMT2ASMN1; SMN2POLBRARB
SCHEMBL18602133 0.84 KMT2A (0.57) ALDH1A1KMT2ASMN1; SMN2L3MBTL1NR1H4
SCHEMBL2938207 0.83 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL21505918 0.83 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KDM4EL3MBTL1HPGD
SCHEMBL18235891 0.82 EPHX2 (0.53) ALDH1A1KMT2ASMN1; SMN2KDM4ENR1H4
SCHEMBL18828911 0.82 S1PR1 (0.57) ALDH1A1KMT2ASMN1; SMN2RARB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118185434-B Weather-resistant powder coating and preparation method thereof 中山虹丽美新材料科技有限公司 2024-08-13 CN claimed
CN-118185434-A Weather-resistant powder coating and preparation method thereof 中山虹丽美新材料科技有限公司 2024-06-14 CN claimed
US-12371401-B2 Dithienyl disulfiram derivatives as selective ALDH1A1 inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2025-07-29 US disclosed
US-20250145565-A1 DITHIENYL DISULFIRAM DERIVATIVES AS SELECTIVE ALDH1A1 INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2025-05-08 US disclosed
US-12227469-B2 Disulfiram derivatives as ALDH1a1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2025-02-18 US disclosed
CN-118185434-B Weather-resistant powder coating and preparation method thereof 中山虹丽美新材料科技有限公司 2024-08-13 CN disclosed
CN-118185434-A Weather-resistant powder coating and preparation method thereof 中山虹丽美新材料科技有限公司 2024-06-14 CN disclosed
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
CN-111205244-B Thiazolo-ring compound, preparation method, intermediate and application thereof 上海科技大学 2023-08-18 CN disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (7 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-12371401-B2 Dithienyl disulfiram derivatives as selective ALDH1A1 inhibitors ALDH3A1, ALDH1A1, ADH1A ALDH1A1 2/4885KMT2A 2062/4885SMN1; SMN2 654/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885KMT2A 68/4885SMN1; SMN2 3557/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 ALDH1A1 256/4885KMT2A 1350/4885SMN1; SMN2 574/4885
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors ALDH1A1, ADH1A, ALDH3A1 ALDH1A1 1/4885KMT2A 1086/4885SMN1; SMN2 914/4885
US-12227469-B2 Disulfiram derivatives as ALDH1a1 and MAGL inhibitors ADH1A, ALDH1A1, ALDH3A1 ALDH1A1 2/4885KMT2A 866/4885SMN1; SMN2 1691/4885
US-20250145565-A1 DITHIENYL DISULFIRAM DERIVATIVES AS SELECTIVE ALDH1A1 INHIBITORS ALDH3A1, ALDH1A1, ADH1A ALDH1A1 2/4885KMT2A 2062/4885SMN1; SMN2 654/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL ALDH1A1 533/4885KMT2A 4667/4885SMN1; SMN2 4117/4885

“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.