SCHEMBL3372189

SCHEMBL3372189

Oc1cc(Br)cc2ccoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAOA P21397 4/20 0.42
ALOX15 P16050 3/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 1/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ERN1 O75460 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL16426152 0.80 GPR35 (0.37) MAOBCYP3A4MAOAALOX15ALOX12
SCHEMBL28175889 0.77 NQO2 (0.41) CYP3A4MAOAALOX15HPGDTSHR
SCHEMBL14741951 0.77 NMT1 (0.32) MAOBCYP3A4MAOATSHRCYP1A2
SCHEMBL7487069 0.77 MAOB (0.38) MAOBCYP3A4MAOALMNAPRNP
SCHEMBL2296131 0.77 TRPA1 (0.34) MAOBCYP3A4MAOATSHRCYP1A2
SCHEMBL1064292 0.77 MAOA (0.37) MAOBCYP3A4MAOATSHRKDM4E
SCHEMBL7482318 0.76 MAOB (0.36) MAOBCYP3A4MAOAXDHSLC22A12
SCHEMBL31305973 0.76 MAOB (0.36) MAOBCYP3A4MAOAXDHSLC22A12
SCHEMBL7481290 0.76 CA9 (0.44) CYP3A4MAOATSHRKDM4EPOLB
SCHEMBL7265732 0.75 GPR35 (0.45) MAOBMAOAALOX15HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
CN-1711084-B Substituted 4-alkoxyoxazol derivatives as PPAR agonists HOFFMANN LA ROCHE 2010-04-28 CN disclosed
CN-100356917-C Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes HOFFMANN LA ROCHE (CH) 2007-12-26 CN disclosed
EP-1572203-B1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2007-11-07 EP disclosed
US-7109225-B2 Antidiabetic agents; hypotensive agents; anticholesterol agents; antilipemic agents; antiinflammatory agents; antiproliferative agents HOFMANN-LA ROCHE INC. (US) 2006-09-19 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
CN-1711084-A Substituted 4-alkoxyoxazol derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2005-12-21 CN disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 US disclosed
CN-1509173-A Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes - 2004-06-30 CN disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (3 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-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 MAOB 2146/4885CYP3A4 72/4885MAOA 2549/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAOB 4027/4885CYP3A4 468/4885MAOA 4312/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG MAOB 3944/4885CYP3A4 1079/4885MAOA 3856/4885

“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.