SCHEMBL868296

SCHEMBL868296

CCc1ccc(Br)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
S100A4 P26447 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2A6 P11509 1/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GSK3B P49841 1/20 0.34
PRNP P04156 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL30906634 1.00 BACE1 (0.40) BACE1GABRA1GABRB2S100A4SMN1; SMN2
SCHEMBL31088263 0.82 SMN1; SMN2 (0.40) GABRA1GABRB2S100A4SMN1; SMN2LMNA
SCHEMBL515201 0.82 SMN1; SMN2 (0.40) GABRA1GABRB2S100A4SMN1; SMN2LMNA
SCHEMBL28419 0.79 BACE1 (0.41) BACE1S100A4HPGDCYP2A6ALOX15
SCHEMBL30900304 0.79 BACE1 (0.41) BACE1S100A4HPGDCYP2A6ALOX15
SCHEMBL7787482 0.78 GABRA1 (0.44) GABRA1GABRB2S100A4SMN1; SMN2LMNA
SCHEMBL28096446 0.78 TYR (0.47) BACE1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL25172358 0.77 CYP2A6 (0.44) BACE1S100A4CYP2A6ALOX15ALDH1A1
SCHEMBL28627486 0.77 BACE1 (0.40) BACE1S100A4CYP2A6ALOX15GSK3B
SCHEMBL22028119 0.77 BACE1 (0.40) BACE1S100A4LMNACYP2A6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-9006429-B2 Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives SYNGENTA CROP PROTECTION, LLC (US) 2015-04-14 US disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
WO-2009150093-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2009150093-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-17 WO disclosed
WO-2009150094-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-12-17 WO disclosed
WO-2009150094-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-12-17 WO disclosed
CN-101605771-A 4-phenyl-pyran-3, 5-diones, 4-phenyl-thiopyran-3, 5-diones and cyclohexanetriones as novel herbicides SYNGENTA PARTICIPATIONS AG (CH) 2009-12-16 CN disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 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 (1 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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 BACE1 1336/4885GABRA1 223/4885GABRB2 70/4885

“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.