SCHEMBL1361621

SCHEMBL1361621

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
TNKS O95271 2/20 0.42
PARP1 P09874 1/20 0.42
SCN2A Q99250 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
COMT P21964 1/20 0.40
KIF11 P52732 4/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL29144909 0.82 NOTUM (0.46) NOTUMTNKSPARP1KIF11TNKS2
SCHEMBL19281394 0.82 NOTUM (0.38) NOTUMPARP1SCN2A
SCHEMBL29144919 0.79 ERCC1 (0.46) NOTUMTNKSCCNB2CDK1CCNB1
SCHEMBL6604025 0.76 ALDH1A1 (0.47) NOTUMPARP1CCNB2CDK1CCNB1
SCHEMBL29144913 0.76 KDM4E (0.42) NOTUMTNKSPARP1TNKS2RAB9A
SCHEMBL7271565 0.76 GCGR (0.41) CDK1GSK3AGSK3BNPY5R
SCHEMBL38658162 0.76 MEN1 (0.46) TNKSPARP1CCNB2CDK1CCNB1
SCHEMBL38657735 0.74 BRD4 (0.46) TNKSPARP1KIF11CYP3A4TNKS2
SCHEMBL6603063 0.73 MAP2K1 (0.54) NOTUMBACE1RAB9A
SCHEMBL26134841 0.72 KIF11 (0.52) TNKSPARP1SCN2ACCNB2CDK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080269219-A1 Neurotrophin production/secretion promoting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
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 disclosed
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
EP-1219610-B1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-25 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
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 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-20080269219-A1 Neurotrophin production/secretion promoting agent BDNF, NGF, NTRK2 NOTUM 2144/4885TNKS 4784/4885PARP1 4651/4885

“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.