SCHEMBL289991

SCHEMBL289991

CCOC(=O)c1nc(C)c(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DHODH Q02127 1/20 0.43
CYP1A2 P05177 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.40
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
FHIT P49789 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 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
SCHEMBL24370289 0.88 MAPT (0.39) ALDH1A1HPGDMAPTNPSR1KDM4E
SCHEMBL1503950 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL12894510 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMAPTNPSR1KDM4E
SCHEMBL23538284 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPSR1KDM4E
SCHEMBL3824920 0.77 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL3823404 0.77 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL6114078 0.77 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ECYP1A2
SCHEMBL23291972 0.77 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPSR1KDM4E
SCHEMBL6114364 0.77 ALDH1A1 (0.46) ALDH1A1HPGDMAPTNPSR1KDM4E
SCHEMBL18355569 0.77 SMN1; SMN2 (0.37) ALDH1A1HPGDMAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 US disclosed
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2024-09-10 US disclosed
EP-4349820-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2024-04-10 EP disclosed
EP-3658539-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-02-21 EP disclosed
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-12-28 US disclosed
CN-117209447-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-12 CN disclosed
CN-117143042-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-01 CN disclosed
CN-111094243-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-09-05 CN disclosed
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 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 (4 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 ALDH1A1 916/4885HPGD 1057/4885MAPT 342/4885
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885HPGD 1662/4885MAPT 2020/4885
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885HPGD 1662/4885MAPT 2020/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 ALDH1A1 1472/4885HPGD 1139/4885MAPT 2064/4885

“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.