SCHEMBL608328

SCHEMBL608328

OCc1cccc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
APOBEC3G Q9HC16 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IDO1 P14902 2/20 0.37
HSPA5 P11021 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL595285 0.87 GABRA1 (0.55) GABRA1GABRB2APOBEC3GPDCD1CD274
SCHEMBL9016954 0.81 GABRA1 (0.48) GABRA1GABRB2TAAR1IDO1HSPA5
SCHEMBL22288310 0.81 TAAR1 (0.40) GABRA1GABRB2TAAR1IDO1HSPA5
SCHEMBL6942317 0.80 APOBEC3G (0.39) GABRA1GABRB2APOBEC3GTAAR1PDCD1
SCHEMBL110893 0.79
SCHEMBL12665692 0.78 HSPA5 (0.48) GABRA1GABRB2APOBEC3GTAAR1PDCD1
SCHEMBL2116718 0.78 PARP1 (0.41) GABRA1GABRB2APOBEC3GTAAR1PDCD1
SCHEMBL29790993 0.78 APOBEC3G (0.38) GABRA1GABRB2APOBEC3GTAAR1PDCD1
SCHEMBL1232142 0.78 APOBEC3G (0.38) GABRA1GABRB2APOBEC3GTAAR1PDCD1
SCHEMBL1450337 0.78 CA2 (0.44) GABRA1GABRB2APOBEC3GTAAR1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024212742-A1 GLP-1R AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF 上海研健新药研发有限公司 2024-10-17 WO disclosed
CN-113444075-B Indoline derivative, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-06-21 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-108698824-A The method for preparing polymerised sulphur 伊士曼化工公司 2018-10-23 CN disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9080032-B2 Mixed alkyl benzyl esters of succinic acid used as plasticizers LANXESS DEUTSCHLAND GMBH (DE) 2015-07-14 US disclosed
US-20150114263-A1 MIXED ALKYL BENZYL ESTERS OF SUCCINIC ACID USED AS PLASTICIZERS LANXESS DEUTSCHLAND GMBH (DE) 2015-04-30 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
US-20080004387-A1 Alkyl benzyl esters of polycarboxylic acids LANXESS DEUTSCHLAND GMBH (DE) 2008-01-03 US disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 WO disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (2 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-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GABRA1 2436/4885GABRB2 3765/4885APOBEC3G 3502/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB GABRA1 210/4885GABRB2 231/4885APOBEC3G 4527/4885

“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.