SCHEMBL962882

SCHEMBL962882

COc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
TSHR P16473 4/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 3/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 6/20 0.35
HPGD P15428 2/20 0.35
ICMT O60725 1/20 0.35
GCGR P47871 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL1360017 0.97 MAPT (0.36) MAPTTSHRTHRBMAPK1POLB
SCHEMBL1361418 0.93 MAPT (0.42) MAPTTHRBMAPK1POLBTP53
SCHEMBL1361746 0.93 GCGR (0.38) MAPTPOLBTP53L3MBTL1GCGR
SCHEMBL1361106 0.92 TUBB4A (0.35) MAPTL3MBTL1ICMTGCGRNPC1
SCHEMBL1361656 0.92 MAPT (0.39) MAPTTSHRMAPK1POLBTP53
SCHEMBL1363090 0.92 SMN1; SMN2 (0.36) MAPTTSHRTHRBMAPK1ALDH1A1
SCHEMBL203742 0.91 TP53 (0.41) MAPTTSHRMAPK1POLBTP53
Hydrochloric Acid SCHEMBL1362475 0.91 TP53 (0.41) MAPTTSHRMAPK1POLBTP53
SCHEMBL1361745 0.90 POLB (0.38) MAPTPOLBTP53L3MBTL1GCGR
SCHEMBL1361779 0.90 GCGR (0.34) MAPTPOLBTP53GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269219-A1 Neurotrophin production/secretion promoting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US claimed
US-7396848-B1 oxazole derivatives to treat diabetic neuropathy and/or other kinds of peripheral neuropathy; 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-08 US claimed
EP-1206472-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-10-01 EP claimed
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US claimed
US-20130310321-A1 DIAGNOSTIC AGENT FOR ISCHEMIC HEART DISEASE RISK GROUP DAIICHI PURE CHEMICALS CO., LTD. (JP) 2013-11-21 US disclosed
EP-1491194-B1 VDAC REGULATOR TAKEDA PHARMACEUTICAL (JP) 2013-10-30 EP disclosed
EP-1407770-B1 TGF-BETA SUPERFAMILY PRODUCTION/SECRETION PROMOTER TAKEDA PHARMACEUTICAL (JP) 2013-06-05 EP disclosed
EP-1548435-B1 DIAGNOSTIC METHOD FOR EATING DISORDERS IYO MASAOMI (JP) 2012-05-23 EP disclosed
US-20120122777-A1 DIAGNOSTIC AGENT FOR ISCHEMIC HEART DISEASE RISK GROUP Masao Daimon (JP) 2012-05-17 US disclosed
US-8067453-B2 Oxazole compound to treat or prevent diabetic neuropathy; 4-(4-chlorophenyl)-5-(3-(2-methoxyphenoxy)propyl-2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-29 US disclosed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-7754434-B2 Diagnostic and examination method for eating disorder Iyo, Masaomi (JP) 2010-07-13 US disclosed
EP-1407770-A1 TGF-BETA SUPERFAMILY PRODUCTION/SECRETION PROMOTER Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP disclosed
EP-1206472-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-10-01 EP disclosed
US-6605629-B1 Oxazole derivatives; low toxicity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-12 US disclosed
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 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-20080269219-A1 Neurotrophin production/secretion promoting agent BDNF, NGF, NTRK2 MAPT 3908/4885TSHR 196/4885THRB 164/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885TSHR 237/4885THRB 180/4885
US-20120122777-A1 DIAGNOSTIC AGENT FOR ISCHEMIC HEART DISEASE RISK GROUP BDNF, NGF, FABP3 MAPT 3059/4885TSHR 1316/4885THRB 1260/4885

“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.