SCHEMBL473221

SCHEMBL473221

O=C(Nc1ccc[nH]c1=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ROCK2 O75116 2/20 0.57
CASP3 P42574 1/20 0.56
MAOB P27338 1/20 0.51
POLB P06746 1/20 0.50
PTPN1 P18031 1/20 0.50
MGLL Q99685 1/20 0.48
PLAU P00749 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46

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
Bicarbonate SCHEMBL5821894 0.95 NPC1 (0.56) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL20697269 0.81 ALDH1A1 (0.46) NPC1RAB9AROCK2CASP3PLAU
SCHEMBL3290935 0.80 NPC1 (0.57) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL17420472 0.79 NPC1 (0.68) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL6558433 0.79 NPC1 (0.52) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL473143 0.79 NPC1 (0.59) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL395837 0.79 NPC1 (0.52) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL10062905 0.79 MGLL (0.56) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL4416727 0.78 NPC1 (0.62) NPC1RAB9AROCK2CASP3MAOB
SCHEMBL16193532 0.77 NPC1 (0.69) NPC1RAB9ACASP3MAOBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof ACCRO BIOSCIENCE HK LTD (HK) 2025-03-06 US disclosed
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-02-13 US disclosed
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 CN disclosed
EP-4456895-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF Accro Bioscience (HK) Limited (HK) 2024-11-06 EP disclosed
EP-4423086-A1 TYK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-09-04 EP disclosed
EP-4103565-B1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE COMPOUNDS LILLY CO ELI (US) 2024-05-01 EP disclosed
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 US disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
CN-1159196-A Inhibitors of interleukin-1'beta' converting enzyme VERTEX PHARMA (US) 1997-09-10 CN disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 NPC1 4175/4885RAB9A 4737/4885ROCK2 688/4885
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, DYRK2, DYRK1A NPC1 4748/4885RAB9A 3951/4885ROCK2 538/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B NPC1 4523/4885RAB9A 2977/4885ROCK2 449/4885
US-20250074919-A1 Heteroaryl compounds as inhibitors of irak4, compositions and applications thereof IRAK4, IRAK1, IRAK2 NPC1 672/4885RAB9A 2780/4885ROCK2 1477/4885

“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.