SCHEMBL5543336

SCHEMBL5543336

[CH2]c1scc2ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GFER P55789 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ABCB11 O95342 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 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
SCHEMBL5546364 0.85 CYP1A2 (0.45) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL5543342 0.81 CYP1A2 (0.45) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL5543995 0.80 ALDH1A1 (0.47) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL19382614 0.74 CYP1A2 (0.61) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL5547486 0.72 MTNR1A (0.47) KDM4EMEN1KMT2AALDH1A1GFER
SCHEMBL443070 0.71 CYP1A2 (0.79) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL29447161 0.71 CYP1A2 (0.79) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL4789564 0.70 CYP1A2 (0.56) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL2094558 0.69 CYP2A6 (0.42) CYP2A6KDM4ESMN1; SMN2CA2
SCHEMBL5546370 0.69 CYP1A2 (0.45) CYP1A2CYP2A6KDM4EMEN1KMT2A

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 CYP1A2 609/4885CYP2A6 492/4885KDM4E 1916/4885
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CYP1A2 2773/4885CYP2A6 3870/4885KDM4E 1654/4885
US-10774072-B2 Crystal of N-substituted sulfonamide compound STS, SLC10A6, CA3 CYP1A2 868/4885CYP2A6 845/4885KDM4E 2095/4885
US-10428046-B2 N-substituted sulfonamide compound and method for producing same STS, CA7, CA4 CYP1A2 609/4885CYP2A6 492/4885KDM4E 1916/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885CYP2A6 1119/4885KDM4E 4854/4885
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS CYP1A2 2080/4885CYP2A6 3211/4885KDM4E 1517/4885

“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.