SCHEMBL531659

SCHEMBL531659

C=C(C)c1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTR7 P34969 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
CTSA P10619 1/20 0.33
CTH P32929 1/20 0.32
LMNA P02545 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPK10 P53779 1/20 0.31
CYP1A2 P05177 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL31543348 1.00 GRM5 (0.44) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL13793158 0.84 KDM4E (0.46) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL13896497 0.82 ALDH1A1 (0.43) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL30041316 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4EALOX15
SCHEMBL21264073 0.78 GRM5 (0.44) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL6744 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4EALOX15
SCHEMBL3507578 0.77 GRM5 (0.42) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL3507580 0.77 GRM5 (0.42) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL3507575 0.77 GRM5 (0.42) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL8281251 0.76 P2RX7 (0.50) GRM5ALDH1A1HPGDKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 US disclosed
EP-4522612-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2025-03-19 EP disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
EP-3875460-A1 PYRIMIDOPYRAZOLONE DERIVATIVE AS WEE1 INHIBITOR AND USE THEREOF Shijiazhuang Sagacity New Drug Development Company, Ltd. (CN) 2021-09-08 EP disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP GRM5 4799/4885ALDH1A1 3887/4885HPGD 2844/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP GRM5 4799/4885ALDH1A1 3887/4885HPGD 2844/4885
US-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 GRM5 2770/4885ALDH1A1 4708/4885HPGD 4631/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP GRM5 4799/4885ALDH1A1 3887/4885HPGD 2844/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP GRM5 4799/4885ALDH1A1 3887/4885HPGD 2844/4885

“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.