SCHEMBL5783191

SCHEMBL5783191

NC(=O)c1ccc2ncoc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
NAMPT P43490 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DYRK1A Q13627 2/20 0.46
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
KLK3 P07288 1/20 0.44
CRBN Q96SW2 1/20 0.43
LCK P06239 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
IP6K1 Q92551 1/20 0.39
LMNA P02545 1/20 0.39
WNT1 P04628 1/20 0.39

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
SCHEMBL2004863 0.86 CTNNB1 (0.59) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27775517 0.84 CTNNB1 (0.57) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL27775537 0.84 CTNNB1 (0.57) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL3492945 0.84 TAS1R3 (0.54) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27775515 0.83 CTNNB1 (0.56) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL21129477 0.82 TAS1R3 (0.56) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL20898199 0.82 TAS1R3 (0.52) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL5591686 0.82 DYRK1A (0.46) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL11989349 0.78 TAS1R3 (0.59) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1
SCHEMBL12173891 0.78 TAS1R3 (0.59) TAS1R3TAS1R1NAMPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528797-B2 Heterocyclic compounds for medical treatment C4 THERAPEUTICS, INC. 2026-01-20 US disclosed
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 US disclosed
CN-115884970-A Aryl formamide compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-03-31 CN disclosed
US-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 THERAPEUTICS, INC. (US) 2023-01-19 US disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 CN disclosed
WO-2022063205-A1 ARYL FORMAMIDE COMPOUND, PREPARATION METHOD FOR SAME, AND MEDICINAL USES THEREOF 中国医药研究开发中心有限公司 2022-03-31 WO disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-3394052-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY Kancera AB (SE) 2018-10-31 EP disclosed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 WO disclosed
CN-1524078-A Antagonists of mcp-1 function and methods of use thereof ̩ 2004-08-25 CN disclosed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US disclosed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO disclosed
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
CN-1039415-C Heterocyclic compounds ZENECA LTD (GB) 1998-08-05 CN disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 WO disclosed
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 CN 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 (6 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-20230019060-A1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT CRBN, MDM2, RBX1 TAS1R3 4848/4885TAS1R1 4828/4885NAMPT 3318/4885
US-12528797-B2 Heterocyclic compounds for medical treatment CRBN, CUL2, ADRM1 TAS1R3 4529/4885TAS1R1 4266/4885NAMPT 4798/4885
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 TAS1R3 1815/4885TAS1R1 890/4885NAMPT 1668/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TAS1R3 2431/4885TAS1R1 1490/4885NAMPT 2009/4885
US-20230255906-A1 Targeting Serpin B9 in Cancer SERPINB10, SERPINB8, SERPINE1 TAS1R3 3520/4885TAS1R1 3465/4885NAMPT 802/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 TAS1R3 5/4885TAS1R1 3/4885NAMPT 333/4885

“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.