SCHEMBL5542989

SCHEMBL5542989

[CH2]c1cc2ccc(OC)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2A6 P11509 1/20 0.45
PDK1 Q15118 1/20 0.45
BACE1 P56817 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PSMB8 P28062 1/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL5546367 0.85 BACE1 (0.62) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL5534564 0.80 ALDH1A1 (0.50) CA2CYP1A2CYP3A4CYP2C19PSMB8
SCHEMBL29239834 0.80 CA2 (0.57) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8694638 0.78 CA2 (0.56) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL144455 0.78 CA2 (0.56) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL12675254 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL1107212 0.77 BACE1 (0.73) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL8602480 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL29771048 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6
SCHEMBL4438844 0.77 CA2 (0.54) CA2CYP1A2CYP3A4CYP2C19CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281456-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-11-29 EP disclosed
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
WO-2023200017-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-10-19 WO disclosed
CN-116710455-A Novel bicyclic compounds 株式会社棱镜生物实验室 2023-09-05 CN disclosed
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-08-24 US disclosed
EP-4225760-A1 NOVEL BICYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-08-16 EP disclosed
CN-116348119-A Novel bicyclic compounds 株式会社棱镜生物实验室 2023-06-27 CN disclosed
EP-4182317-A1 NOVEL HETEROCYCLIC COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2023-05-24 EP disclosed
CN-116018345-A Novel heterocyclic compounds 株式会社棱镜生物实验室 2023-04-25 CN disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 WO disclosed
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 CN disclosed
US-10774072-B2 Crystal of N-substituted sulfonamide compound UBE INDUSTRIES, LTD. (JP) 2020-09-15 US disclosed
US-10428046-B2 N-substituted sulfonamide compound and method for producing same UBE INDUSTRIES, LTD. (JP) 2019-10-01 US disclosed
US-20170114043-A1 N-SUBSTITUTED SULFONAMIDE COMPOUND AND METHOD FOR PRODUCING SAME UBE INDUSTRIES, LTD. (JP) 2017-04-27 US disclosed
EP-3156396-A1 N-SUBSTITUTED SULFONAMIDE COMPOUND AND METHOD FOR PRODUCING SAME UBE Industries, Ltd. (JP) 2017-04-19 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20170114043-A1 N-SUBSTITUTED SULFONAMIDE COMPOUND AND METHOD FOR PRODUCING SAME STS, CA7, CA4 CA2 6/4885CYP1A2 609/4885CYP3A4 745/4885
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CA2 1873/4885CYP1A2 2773/4885CYP3A4 3174/4885
US-10774072-B2 Crystal of N-substituted sulfonamide compound STS, SLC10A6, CA3 CA2 12/4885CYP1A2 868/4885CYP3A4 1056/4885
US-10428046-B2 N-substituted sulfonamide compound and method for producing same STS, CA7, CA4 CA2 6/4885CYP1A2 609/4885CYP3A4 745/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA2 1853/4885CYP1A2 659/4885CYP3A4 1683/4885
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS CA2 812/4885CYP1A2 2080/4885CYP3A4 2003/4885

“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.